ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate

C15H21N3O3 — CID 60854428

IUPACethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(20)18-12-7-5-11(6-8-12)17-13(19)15(16)9-3-4-10-15/h5-8H,2-4,9-10,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyHWURFCDMRHDOJR-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.46
Rot. Bonds4

About ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate

ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate (PubChem CID 60854428) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
PubChem CID60854428
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C15H21N3O3/c1-2-21-14(20)18-12-7-5-11(6-8-12)17-13(19)15(16)9-3-4-10-15/h5-8H,2-4,9-10,16H2,1H3,(H,17,19)(H,18,20)
InChIKeyHWURFCDMRHDOJR-UHFFFAOYSA-N
XLogP2.46
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(4-butan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119298195
methyl 2-[4-[(1-aminocyclopentanecarbonyl)amino]phenoxy]acetate;hydrochloride
CID 119283545
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469
1-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]cyclobutane-1-carboxamide
CID 81178638
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
1-amino-N-(3-iodo-4-methylphenyl)cyclopentane-1-carboxamide
CID 60853897
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate (CID 60854428) is ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate?
The InChIKey is HWURFCDMRHDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-14(20)18-12-7-5-11(6-8-12)17-13(19)15(16)9-3-4-10-15/h5-8H,2-4,9-10,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate?
ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate has a molecular weight of 291.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(1-aminocyclopentanecarbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 60854428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).