[1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

C28H34N4O5 — CID 66755742

IUPAC[1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(CNCCO)o2)CC1
InChIInChI=1S/C28H34N4O5/c33-19-15-29-20-23-10-11-26(36-23)27(34)30-14-18-32-16-12-22(13-17-32)37-28(35)31-25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-11,22,29,33H,12-20H2,(H,30,34)(H,31,35)
InChIKeyBGGKCJOKCTYHRM-UHFFFAOYSA-N
MW506.60 g/mol
LogP3.47
Rot. Bonds11

About [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate

[1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (PubChem CID 66755742) has the molecular formula C28H34N4O5 and a molecular weight of 506.60 g/mol. Its IUPAC name is [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
PubChem CID66755742
Molecular FormulaC28H34N4O5
Molecular Weight506.60 g/mol
Exact Mass506.25
IUPAC Name[1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
SMILESO=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(CNCCO)o2)CC1
InChIInChI=1S/C28H34N4O5/c33-19-15-29-20-23-10-11-26(36-23)27(34)30-14-18-32-16-12-22(13-17-32)37-28(35)31-25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-11,22,29,33H,12-20H2,(H,30,34)(H,31,35)
InChIKeyBGGKCJOKCTYHRM-UHFFFAOYSA-N
XLogP3.47
TPSA116.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[1-[2-[[2-[4-[(2-hydroxyethylamino)methyl]phenyl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66756251
[1-[2-[[2-[5-[[bis(2-hydroxyethyl)amino]methyl]furan-2-yl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66755786
[1-[2-[[2-[5-[(2-hydroxyethylamino)methyl]thiophen-2-yl]-2-oxoethyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 66755857
[1-(9-hydroxynonyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 20624951
[1-[2-[(3-formylphenyl)methylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 87210667
[1-[2-[3-[4-(piperidin-1-ylmethyl)phenyl]propanoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11853753
[1-(3-aminopropyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 53325336
[1-[2-[[4-[(4-carbamoylpiperidin-1-yl)methyl]-2-fluorobenzoyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11753708
[1-[2-[5-[[4-[3-(dimethylamino)propoxy]phenyl]methylamino]pentylcarbamoylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 11997796
[1-(2-oxoethyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 89290632
[5-(hydroxymethyl)furan-2-yl]methyl-dimethyl-[9-[4-[(2-phenylphenyl)carbamoyloxy]piperidin-1-yl]nonyl]azanium
CID 20625194
[1-[9-[(3,5-dichloro-4-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
CID 44610609

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The IUPAC name of [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate (CID 66755742) is [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The canonical SMILES for [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is O=C(Nc1ccccc1-c1ccccc1)OC1CCN(CCNC(=O)c2ccc(CNCCO)o2)CC1.
What is the InChIKey of [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
The InChIKey is BGGKCJOKCTYHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O5/c33-19-15-29-20-23-10-11-26(36-23)27(34)30-14-18-32-16-12-22(13-17-32)37-28(35)31-25-9-5-4-8-24(25)21-6-2-1-3-7-21/h1-11,22,29,33H,12-20H2,(H,30,34)(H,31,35).
What are the key properties of [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate?
[1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate has a molecular weight of 506.60 g/mol, XLogP of 3.47, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[5-[(2-hydroxyethylamino)methyl]furan-2-carbonyl]amino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 66755742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).