1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide

C15H20N4O2 — CID 21460408

IUPAC1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide
SMILES[N-]=[N+]=NC1(C(=O)NCCOCc2ccccc2)CCCC1
InChIInChI=1S/C15H20N4O2/c16-19-18-15(8-4-5-9-15)14(20)17-10-11-21-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,20)
InChIKeyKVPBAVSLBHFLKY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.94
Rot. Bonds7

About 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide

1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide (PubChem CID 21460408) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide
PubChem CID21460408
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide
SMILES[N-]=[N+]=NC1(C(=O)NCCOCc2ccccc2)CCCC1
InChIInChI=1S/C15H20N4O2/c16-19-18-15(8-4-5-9-15)14(20)17-10-11-21-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,20)
InChIKeyKVPBAVSLBHFLKY-UHFFFAOYSA-N
XLogP2.94
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
1-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
CID 96831919
1-(2-phenylmethoxyethyl)-3-(thian-4-yl)urea
CID 71981654
1-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]cycloheptane-1-carboxylic acid
CID 113223385
2-azidoethoxymethylbenzene
CID 11116596
2-hydroxy-2-phenyl-N-(2-phenylmethoxyethyl)acetamide
CID 111578044
2-methyl-1-(2-phenylmethoxyethyl)-3-propylguanidine
CID 111964503
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
N-(cyclopropylmethyl)-2-phenylmethoxyethanamine
CID 62566316
2-[1-(iodomethyl)cyclohexyl]ethoxymethylbenzene
CID 142666822
N-(2-phenylmethoxyethyl)-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 99624808

Frequently Asked Questions

What is the IUPAC name of 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide (CID 21460408) is 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide is [N-]=[N+]=NC1(C(=O)NCCOCc2ccccc2)CCCC1.
What is the InChIKey of 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide?
The InChIKey is KVPBAVSLBHFLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-19-18-15(8-4-5-9-15)14(20)17-10-11-21-12-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-12H2,(H,17,20).
What are the key properties of 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide?
1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-N-(2-phenylmethoxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 21460408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).