2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide

C15H23N3O2 — CID 60944981

IUPAC2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-11(2)14(16)15(20)18(3)10-13(19)17-12-8-6-5-7-9-12/h5-9,11,14H,4,10,16H2,1-3H3,(H,17,19)
InChIKeyVFJZLOGOBVDSDC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.46
Rot. Bonds6

About 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide

2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide (PubChem CID 60944981) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
PubChem CID60944981
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
SMILESCCC(C)C(N)C(=O)N(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H23N3O2/c1-4-11(2)14(16)15(20)18(3)10-13(19)17-12-8-6-5-7-9-12/h5-9,11,14H,4,10,16H2,1-3H3,(H,17,19)
InChIKeyVFJZLOGOBVDSDC-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-anilino-2-oxoethyl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79203045
(2S)-2-amino-N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119265149
2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
CID 119697260
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294392
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
(2S)-2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 61173174
(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide
CID 9441258
(2S,3S)-2-amino-N,3-dimethyl-N-(1-phenylethyl)pentanamide
CID 61164093
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
3-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2-dimethyl-3-phenylpropanamide
CID 119682920

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide?
The IUPAC name of 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide (CID 60944981) is 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide?
The canonical SMILES for 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide is CCC(C)C(N)C(=O)N(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide?
The InChIKey is VFJZLOGOBVDSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-11(2)14(16)15(20)18(3)10-13(19)17-12-8-6-5-7-9-12/h5-9,11,14H,4,10,16H2,1-3H3,(H,17,19).
What are the key properties of 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide?
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide has a molecular weight of 277.37 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide is sourced from PubChem (CID 60944981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).