[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate

C52H55N7O8 — CID 159064702

IUPAC[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate
SMILESCC[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C26H28N4O4.C26H27N3O4/c1-2-23(34-25(33)30-26(13-15-28-17-26)20-6-5-14-27-16-20)18-9-11-19(12-10-18)24(32)29-21-7-3-4-8-22(21)31;1-18(33-25(32)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)28-22-8-2-3-9-23(22)30/h3-12,14,16,23,28,31H,2,13,15,17H2,1H3,(H,29,32)(H,30,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,31)(H,29,32)/t23-,26-;18-/m00/s1
InChIKeyJYXGPFLJTRXHOD-DZGRRVSDSA-N
MW906.05 g/mol
LogP9.40
Rot. Bonds13

About [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate

[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate (PubChem CID 159064702) has the molecular formula C52H55N7O8 and a molecular weight of 906.05 g/mol. Its IUPAC name is [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Name[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate
PubChem CID159064702
Molecular FormulaC52H55N7O8
Molecular Weight906.05 g/mol
Exact Mass905.41
IUPAC Name[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate
SMILESCC[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1
InChIInChI=1S/C26H28N4O4.C26H27N3O4/c1-2-23(34-25(33)30-26(13-15-28-17-26)20-6-5-14-27-16-20)18-9-11-19(12-10-18)24(32)29-21-7-3-4-8-22(21)31;1-18(33-25(32)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)28-22-8-2-3-9-23(22)30/h3-12,14,16,23,28,31H,2,13,15,17H2,1H3,(H,29,32)(H,30,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,31)(H,29,32)/t23-,26-;18-/m00/s1
InChIKeyJYXGPFLJTRXHOD-DZGRRVSDSA-N
XLogP9.40
TPSA213.13 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500906.05
LogP ≤ 59.40
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate with MolForge

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Related Compounds

pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10474722
pyridin-3-ylmethyl N-[[4-[(2-hydroxy-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25155421
pyridin-3-ylmethyl N-[[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 68725637
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)propyl]carbamate
CID 59544657
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]carbamate
CID 59544763
3-[4-(2-aminocyclopropyl)phenyl]phenol;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 168432505
pyridin-3-ylmethyl N-[[4-[(2-hydroxyphenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 22668195
[4-[(2-hydroxy-5-pyridin-3-ylphenyl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 25155692
[(S)-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]-phenylmethyl] N-[(4-chloro-3-pyridinyl)methyl]carbamate
CID 59544615
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(S)-(5-chloro-3-pyridinyl)-phenylmethyl]carbamate
CID 59544617
[(S)-phenyl(pyridin-3-yl)methyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl]carbamate
CID 59544629
[(1S)-1-pyridin-3-ylpropyl] N-[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl]carbamate
CID 59544635

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate?
The IUPAC name of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate (CID 159064702) is [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate?
The canonical SMILES for [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate is CC[C@H](OC(=O)N[C@@]1(c2cccnc2)CCNC1)c1ccc(C(=O)Nc2ccccc2O)cc1.C[C@H](OC(=O)NC1(c2cccnc2)CCCC1)c1ccc(C(=O)Nc2ccccc2O)cc1.
What is the InChIKey of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate?
The InChIKey is JYXGPFLJTRXHOD-DZGRRVSDSA-N. The full InChI is InChI=1S/C26H28N4O4.C26H27N3O4/c1-2-23(34-25(33)30-26(13-15-28-17-26)20-6-5-14-27-16-20)18-9-11-19(12-10-18)24(32)29-21-7-3-4-8-22(21)31;1-18(33-25(32)29-26(14-4-5-15-26)21-7-6-16-27-17-21)19-10-12-20(13-11-19)24(31)28-22-8-2-3-9-23(22)30/h3-12,14,16,23,28,31H,2,13,15,17H2,1H3,(H,29,32)(H,30,33);2-3,6-13,16-18,30H,4-5,14-15H2,1H3,(H,28,31)(H,29,32)/t23-,26-;18-/m00/s1.
What are the key properties of [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate?
[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate has a molecular weight of 906.05 g/mol, XLogP of 9.40, 13 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]ethyl] N-(1-pyridin-3-ylcyclopentyl)carbamate;[(1S)-1-[4-[(2-hydroxyphenyl)carbamoyl]phenyl]propyl] N-[(3R)-3-pyridin-3-ylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 159064702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).