2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide

C15H21N3O — CID 42911942

IUPAC2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
SMILESCCCCN(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-4-5-9-18(3)12(2)15(19)17-14-8-6-7-13(10-14)11-16/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyXHBHQNFDTRDWEX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.62
Rot. Bonds6

About 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide

2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide (PubChem CID 42911942) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
PubChem CID42911942
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
SMILESCCCCN(C)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-4-5-9-18(3)12(2)15(19)17-14-8-6-7-13(10-14)11-16/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKeyXHBHQNFDTRDWEX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
CID 61441386
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
(2S)-N-(3-cyanophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]propanamide
CID 8008538
(2R)-N-(3-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102045
(2S)-N-(3-cyanophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27205425
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539527
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide (CID 42911942) is 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide is CCCCN(C)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide?
The InChIKey is XHBHQNFDTRDWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-5-9-18(3)12(2)15(19)17-14-8-6-7-13(10-14)11-16/h6-8,10,12H,4-5,9H2,1-3H3,(H,17,19).
What are the key properties of 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide?
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide has a molecular weight of 259.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 42911942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).