3-amino-N-butyl-3-methyl-N-phenylbutanamide

C15H24N2O — CID 64678131

IUPAC3-amino-N-butyl-3-methyl-N-phenylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-5-11-17(13-9-7-6-8-10-13)14(18)12-15(2,3)16/h6-10H,4-5,11-12,16H2,1-3H3
InChIKeyFICQCAZHSZBRBB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.95
Rot. Bonds6

About 3-amino-N-butyl-3-methyl-N-phenylbutanamide

3-amino-N-butyl-3-methyl-N-phenylbutanamide (PubChem CID 64678131) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-N-butyl-3-methyl-N-phenylbutanamide.

Molecular Properties

Compound Name3-amino-N-butyl-3-methyl-N-phenylbutanamide
PubChem CID64678131
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-N-butyl-3-methyl-N-phenylbutanamide
SMILESCCCCN(C(=O)CC(C)(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-5-11-17(13-9-7-6-8-10-13)14(18)12-15(2,3)16/h6-10H,4-5,11-12,16H2,1-3H3
InChIKeyFICQCAZHSZBRBB-UHFFFAOYSA-N
XLogP2.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-butyl-4,4-dimethyl-N-phenylhexanamide
CID 65291538
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
diethyl 2-[2-(N-butylanilino)-2-oxoethyl]propanedioate
CID 135072362
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-butyl-2,2,2-trichloro-N-phenylacetamide
CID 17256799
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
N-butyl-N-phenyl-2-(4-sulfanylphenyl)acetamide
CID 107030902
N-butyl-N-(3-fluorophenyl)-3,3-dimethylbutanamide
CID 18736125
N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
CID 18735896
N-butyl-N-phenylprop-2-enamide
CID 43619884
2,2,2-trifluoroethyl N-butyl-N-phenylcarbamate
CID 64586778

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-3-methyl-N-phenylbutanamide?
The IUPAC name of 3-amino-N-butyl-3-methyl-N-phenylbutanamide (CID 64678131) is 3-amino-N-butyl-3-methyl-N-phenylbutanamide.
What is the SMILES notation for 3-amino-N-butyl-3-methyl-N-phenylbutanamide?
The canonical SMILES for 3-amino-N-butyl-3-methyl-N-phenylbutanamide is CCCCN(C(=O)CC(C)(C)N)c1ccccc1.
What is the InChIKey of 3-amino-N-butyl-3-methyl-N-phenylbutanamide?
The InChIKey is FICQCAZHSZBRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-5-11-17(13-9-7-6-8-10-13)14(18)12-15(2,3)16/h6-10H,4-5,11-12,16H2,1-3H3.
What are the key properties of 3-amino-N-butyl-3-methyl-N-phenylbutanamide?
3-amino-N-butyl-3-methyl-N-phenylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-3-methyl-N-phenylbutanamide is sourced from PubChem (CID 64678131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).