N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide

C16H21N3O — CID 56790178

IUPACN-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide
SMILESCc1cccc(C2(NCC(=O)NCC#N)CCCC2)c1
InChIInChI=1S/C16H21N3O/c1-13-5-4-6-14(11-13)16(7-2-3-8-16)19-12-15(20)18-10-9-17/h4-6,11,19H,2-3,7-8,10,12H2,1H3,(H,18,20)
InChIKeyNPDAVFFNIGRCBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.99
Rot. Bonds5

About N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide

N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide (PubChem CID 56790178) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide
PubChem CID56790178
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide
SMILESCc1cccc(C2(NCC(=O)NCC#N)CCCC2)c1
InChIInChI=1S/C16H21N3O/c1-13-5-4-6-14(11-13)16(7-2-3-8-16)19-12-15(20)18-10-9-17/h4-6,11,19H,2-3,7-8,10,12H2,1H3,(H,18,20)
InChIKeyNPDAVFFNIGRCBH-UHFFFAOYSA-N
XLogP1.99
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[1-(3-methylphenyl)cyclopentyl]amino]ethylsulfonyl]acetic acid
CID 122099711
4-amino-3-methoxy-N-[1-(3-methylphenyl)cyclopentyl]butanamide
CID 120591466
(2S)-2-amino-N-[1-(3-methylphenyl)cyclopentyl]propanamide
CID 119316008
1-[4-(cyanomethyl)phenyl]-3-[1-(3-methylphenyl)cyclopentyl]thiourea
CID 100767555
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-(3-methylphenyl)cyclopentyl]urea
CID 56825522
N-[(1-hydroxycyclobutyl)methyl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 111445825
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
N-(cyanomethyl)-3-methylbenzamide;ethane
CID 145337674
N-[1-(3-methylphenyl)cyclopentyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770626
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
4-[[1-(3-methylphenyl)cyclopentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673434
1-(3-methylbenzoyl)cyclopentane-1-carbonitrile
CID 102358495

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide (CID 56790178) is N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide is Cc1cccc(C2(NCC(=O)NCC#N)CCCC2)c1.
What is the InChIKey of N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide?
The InChIKey is NPDAVFFNIGRCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-5-4-6-14(11-13)16(7-2-3-8-16)19-12-15(20)18-10-9-17/h4-6,11,19H,2-3,7-8,10,12H2,1H3,(H,18,20).
What are the key properties of N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide?
N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide has a molecular weight of 271.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[[1-(3-methylphenyl)cyclopentyl]amino]acetamide is sourced from PubChem (CID 56790178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).