N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide

C15H21N3O — CID 3063462

IUPACN-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide
SMILESCCCC(C(=O)NC(C#N)c1ccccc1)N(C)C
InChIInChI=1S/C15H21N3O/c1-4-8-14(18(2)3)15(19)17-13(11-16)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8H2,1-3H3,(H,17,19)
InChIKeyUUQPELYCSNYIOA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.10
Rot. Bonds6

About N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide

N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide (PubChem CID 3063462) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide
PubChem CID3063462
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide
SMILESCCCC(C(=O)NC(C#N)c1ccccc1)N(C)C
InChIInChI=1S/C15H21N3O/c1-4-8-14(18(2)3)15(19)17-13(11-16)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8H2,1-3H3,(H,17,19)
InChIKeyUUQPELYCSNYIOA-UHFFFAOYSA-N
XLogP2.10
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Melinamide
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cyclo(L-leucyl-L-phenylalanyl)
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CID 70573
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
Leucyl-phenylalanine amide
CID 3082491
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
CID 2959243
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide?
The IUPAC name of N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide (CID 3063462) is N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide is CCCC(C(=O)NC(C#N)c1ccccc1)N(C)C.
What is the InChIKey of N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide?
The InChIKey is UUQPELYCSNYIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-8-14(18(2)3)15(19)17-13(11-16)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8H2,1-3H3,(H,17,19).
What are the key properties of N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide?
N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide has a molecular weight of 259.35 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-2-(dimethylamino)pentanamide is sourced from PubChem (CID 3063462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).