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

C17H23N3O — CID 61441386

IUPAC2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
SMILESCCCCN(C1CC1)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-3-4-10-20(16-8-9-16)13(2)17(21)19-15-7-5-6-14(11-15)12-18/h5-7,11,13,16H,3-4,8-10H2,1-2H3,(H,19,21)
InChIKeyIXQCZGGLRVMVEE-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.15
Rot. Bonds7

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

2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide (PubChem CID 61441386) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
PubChem CID61441386
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide
SMILESCCCCN(C1CC1)C(C)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H23N3O/c1-3-4-10-20(16-8-9-16)13(2)17(21)19-15-7-5-6-14(11-15)12-18/h5-7,11,13,16H,3-4,8-10H2,1-2H3,(H,19,21)
InChIKeyIXQCZGGLRVMVEE-UHFFFAOYSA-N
XLogP3.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
N-(3-cyanophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 60689256
N-(3-cyanophenyl)-2-[propan-2-yl(propyl)amino]propanamide
CID 43269554
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-aminophenyl)-2-[cyclopropyl(3-methylbutyl)amino]propanamide
CID 78973756
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
N-(3-cyanophenyl)-2-ethoxypropanamide
CID 43187565
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
CID 43264179
N-(3-cyanophenyl)-3-(ethylamino)-2-methylpropanamide
CID 62853412
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
N-(3-cyanophenyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]propanamide
CID 107479644

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide (CID 61441386) is 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide is CCCCN(C1CC1)C(C)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide?
The InChIKey is IXQCZGGLRVMVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-4-10-20(16-8-9-16)13(2)17(21)19-15-7-5-6-14(11-15)12-18/h5-7,11,13,16H,3-4,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide?
2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide has a molecular weight of 285.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 61441386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).