2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide

C15H18N2O — CID 847345

IUPAC2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESN#CCC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C15H18N2O/c16-11-8-14(18)17-12-15(9-4-5-10-15)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-10,12H2,(H,17,18)
InChIKeyXQERMXLRGZVATK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.53
Rot. Bonds4

About 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide

2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide (PubChem CID 847345) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide
PubChem CID847345
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide
SMILESN#CCC(=O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C15H18N2O/c16-11-8-14(18)17-12-15(9-4-5-10-15)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-10,12H2,(H,17,18)
InChIKeyXQERMXLRGZVATK-UHFFFAOYSA-N
XLogP2.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)acetamide
CID 70143
N-(2-Phenylethyl)propanamide
CID 94894
N-(2-Phenylethyl)-isobutyramide
CID 290550
N-benzyl-2-cyanoacetamide
CID 668298
2-methyl-N-(3-phenylpropyl)propanamide
CID 2906692
2-cyano-N-(3-phenylpropyl)acetamide
CID 4295697
N-Methyl-1-phenylcyclopentanecarboxamide
CID 282489
2-Cyano-N-(2-phenylethyl)acetamide
CID 261414
compound 3d (PMID: 3941405)
CID 11241135
3-[(1-Phenyl-cyclopentylmethyl)-amino]-propionitrile
CID 2852202
N-Phenethyl-N'-(1-phenyl-cyclopentylmethyl)-oxalamide
CID 5096408
N-((1-phenylcyclopentyl)methyl)-2-(piperidin-1-yl)acetamide hydrochloride
CID 16192743

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide (CID 847345) is 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide is N#CCC(=O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide?
The InChIKey is XQERMXLRGZVATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-11-8-14(18)17-12-15(9-4-5-10-15)13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-10,12H2,(H,17,18).
What are the key properties of 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide?
2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide has a molecular weight of 242.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1-phenylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 847345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).