1-amino-N-phenylmethoxycyclopentane-1-carboxamide

C13H18N2O2 — CID 21491908

IUPAC1-amino-N-phenylmethoxycyclopentane-1-carboxamide
SMILESNC1(C(=O)NOCc2ccccc2)CCCC1
InChIInChI=1S/C13H18N2O2/c14-13(8-4-5-9-13)12(16)15-17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,14H2,(H,15,16)
InChIKeyDRWBSEYUUNWVJZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds4

About 1-amino-N-phenylmethoxycyclopentane-1-carboxamide

1-amino-N-phenylmethoxycyclopentane-1-carboxamide (PubChem CID 21491908) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-amino-N-phenylmethoxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-phenylmethoxycyclopentane-1-carboxamide
PubChem CID21491908
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-amino-N-phenylmethoxycyclopentane-1-carboxamide
SMILESNC1(C(=O)NOCc2ccccc2)CCCC1
InChIInChI=1S/C13H18N2O2/c14-13(8-4-5-9-13)12(16)15-17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,14H2,(H,15,16)
InChIKeyDRWBSEYUUNWVJZ-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-phenylmethoxyoxane-4-carboxamide
CID 115295026
1-(aminomethyl)-N-phenylmethoxycyclopropane-1-carboxamide
CID 115453414
1-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283171
1-amino-N-[(1-benzylcyclobutyl)methyl]cyclopentane-1-carboxamide
CID 119345267
1-amino-N-(2,2-dimethyl-3-phenylpropyl)cyclopentane-1-carboxamide
CID 119329656
(2R)-2-[(1-aminocyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869046
1-[(phenylmethoxyamino)methyl]cyclopentane-1-carboxylic acid
CID 71416986
1-amino-N-(4-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 61251912
1-amino-N-(2,3-diphenylpropyl)cyclopentane-1-carboxamide
CID 119335236
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
1-amino-N-(2-hydroxy-2-phenylethyl)cyclohexane-1-carboxamide
CID 43500059
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-phenylmethoxycyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-phenylmethoxycyclopentane-1-carboxamide (CID 21491908) is 1-amino-N-phenylmethoxycyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-phenylmethoxycyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-phenylmethoxycyclopentane-1-carboxamide is NC1(C(=O)NOCc2ccccc2)CCCC1.
What is the InChIKey of 1-amino-N-phenylmethoxycyclopentane-1-carboxamide?
The InChIKey is DRWBSEYUUNWVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-13(8-4-5-9-13)12(16)15-17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,14H2,(H,15,16).
What are the key properties of 1-amino-N-phenylmethoxycyclopentane-1-carboxamide?
1-amino-N-phenylmethoxycyclopentane-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-phenylmethoxycyclopentane-1-carboxamide is sourced from PubChem (CID 21491908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).