(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide

C37H38N2O5 — CID 25149944

IUPAC(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide
SMILESCO/C=C/C(=O)NC(=O)N[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H38N2O5/c1-42-25-24-34(40)39-36(41)38-33-23-22-29(35(33)43-26-28-14-6-2-7-15-28)27-44-37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-21,24-25,29,33,35H,22-23,26-27H2,1H3,(H2,38,39,40,41)/b25-24+/t29-,33-,35-/m1/s1
InChIKeyJPZKRIWZVGLNDK-ISRDRFJMSA-N
MW590.72 g/mol
LogP6.34
Rot. Bonds12

About (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide

(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide (PubChem CID 25149944) has the molecular formula C37H38N2O5 and a molecular weight of 590.72 g/mol. Its IUPAC name is (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide
PubChem CID25149944
Molecular FormulaC37H38N2O5
Molecular Weight590.72 g/mol
Exact Mass590.28
IUPAC Name(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide
SMILESCO/C=C/C(=O)NC(=O)N[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C37H38N2O5/c1-42-25-24-34(40)39-36(41)38-33-23-22-29(35(33)43-26-28-14-6-2-7-15-28)27-44-37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-21,24-25,29,33,35H,22-23,26-27H2,1H3,(H2,38,39,40,41)/b25-24+/t29-,33-,35-/m1/s1
InChIKeyJPZKRIWZVGLNDK-ISRDRFJMSA-N
XLogP6.34
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.72
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[(1S,2S,4S)-2-hydroxy-4-phenylmethoxycyclohexyl]carbamoyl]-3-methoxyprop-2-enamide
CID 101392067
(E)-N-[[(1R,2R,4R)-2-hydroxy-4-phenylmethoxycyclohexyl]carbamoyl]-3-methoxyprop-2-enamide
CID 101392066
2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione
CID 25149837
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
CID 25150053
[2-hydroxy-4,5-bis(phenylmethoxy)-6-(trityloxymethyl)oxan-3-yl] acetate
CID 171122090
(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-ol
CID 11734771
3,4,5-tris(phenylmethoxy)-6-(trityloxymethyl)oxan-2-ol
CID 76503472
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
benzyl (E)-3-methoxyprop-2-enoate
CID 23124979
(3R,4S,5R,6R)-3,5-bis[(4-methoxyphenyl)methoxy]-4-phenylmethoxy-6-(trityloxymethyl)oxan-2-ol
CID 10897967
[5-acetamido-4,6-bis(phenylmethoxy)-2-(trityloxymethyl)oxan-3-yl]imino-iminoazanium
CID 6333394
(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732

Frequently Asked Questions

What is the IUPAC name of (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide?
The IUPAC name of (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide (CID 25149944) is (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide.
What is the SMILES notation for (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide?
The canonical SMILES for (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide is CO/C=C/C(=O)NC(=O)N[C@@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide?
The InChIKey is JPZKRIWZVGLNDK-ISRDRFJMSA-N. The full InChI is InChI=1S/C37H38N2O5/c1-42-25-24-34(40)39-36(41)38-33-23-22-29(35(33)43-26-28-14-6-2-7-15-28)27-44-37(30-16-8-3-9-17-30,31-18-10-4-11-19-31)32-20-12-5-13-21-32/h2-21,24-25,29,33,35H,22-23,26-27H2,1H3,(H2,38,39,40,41)/b25-24+/t29-,33-,35-/m1/s1.
What are the key properties of (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide?
(E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide has a molecular weight of 590.72 g/mol, XLogP of 6.34, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methoxy-N-[[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]carbamoyl]prop-2-enamide is sourced from PubChem (CID 25149944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).