3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide

C17H27N3O2 — CID 120829738

IUPAC3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCNC(C)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-12(2)16(17(22)19-11-13(3)18-4)20-15(21)10-14-8-6-5-7-9-14/h5-9,12-13,16,18H,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyLPYWYXBSYKMEHY-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.09
Rot. Bonds8

About 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 120829738) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
PubChem CID120829738
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
SMILESCNC(C)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C
InChIInChI=1S/C17H27N3O2/c1-12(2)16(17(22)19-11-13(3)18-4)20-15(21)10-14-8-6-5-7-9-14/h5-9,12-13,16,18H,10-11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyLPYWYXBSYKMEHY-UHFFFAOYSA-N
XLogP1.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
CID 55336268
(2R)-N-[(2R)-2-[cyclopropyl(methyl)amino]propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 94733041
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 120829141
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide (CID 120829738) is 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide is CNC(C)CNC(=O)C(NC(=O)Cc1ccccc1)C(C)C.
What is the InChIKey of 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is LPYWYXBSYKMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)16(17(22)19-11-13(3)18-4)20-15(21)10-14-8-6-5-7-9-14/h5-9,12-13,16,18H,10-11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 305.42 g/mol, XLogP of 1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 120829738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).