2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide

C16H25N3O — CID 63029106

IUPAC2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide
SMILESCCN(CCC(NC1CC1)C(N)=O)c1ccccc1C
InChIInChI=1S/C16H25N3O/c1-3-19(15-7-5-4-6-12(15)2)11-10-14(16(17)20)18-13-8-9-13/h4-7,13-14,18H,3,8-11H2,1-2H3,(H2,17,20)
InChIKeyOZNXLLSPYBVRIC-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.82
Rot. Bonds8

About 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide

2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide (PubChem CID 63029106) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide
PubChem CID63029106
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide
SMILESCCN(CCC(NC1CC1)C(N)=O)c1ccccc1C
InChIInChI=1S/C16H25N3O/c1-3-19(15-7-5-4-6-12(15)2)11-10-14(16(17)20)18-13-8-9-13/h4-7,13-14,18H,3,8-11H2,1-2H3,(H2,17,20)
InChIKeyOZNXLLSPYBVRIC-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(cyclopropylamino)-4-(N,2-dimethylanilino)butanoate
CID 63053643
methyl 4-(N-ethyl-2-methylanilino)-2-(methylamino)butanoate
CID 63030085
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
methyl 4-(N-ethyl-2-methylanilino)-2-(propylamino)butanoate
CID 63030284
2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
CID 63039159
ethyl 4-[[N'-[2-(N-ethyl-2-methylanilino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111062200
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438226
4-(N-ethyl-2-methylanilino)butan-2-one
CID 28948801
2-(cyclopropylamino)-4-(3-fluoro-N-methylanilino)butanamide
CID 63054343
N'-ethyl-N'-(2-methylphenyl)-1-phenylpropane-1,3-diamine
CID 43098055
2-(cyclopropylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 63054235
2-(cyclopropylamino)-3-phenylpropanamide
CID 60796180

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide (CID 63029106) is 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide is CCN(CCC(NC1CC1)C(N)=O)c1ccccc1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide?
The InChIKey is OZNXLLSPYBVRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-19(15-7-5-4-6-12(15)2)11-10-14(16(17)20)18-13-8-9-13/h4-7,13-14,18H,3,8-11H2,1-2H3,(H2,17,20).
What are the key properties of 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide?
2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide is sourced from PubChem (CID 63029106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).