2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide

C16H25N3O2 — CID 67891223

IUPAC2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
SMILESCC(C)CC(NC(=O)C(C)(C)N)C(=O)Nc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(2)10-13(19-15(21)16(3,4)17)14(20)18-12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyYNCDRNQGUAGUHG-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.89
Rot. Bonds6

About 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide

2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide (PubChem CID 67891223) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
PubChem CID67891223
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
SMILESCC(C)CC(NC(=O)C(C)(C)N)C(=O)Nc1ccccc1
InChIInChI=1S/C16H25N3O2/c1-11(2)10-13(19-15(21)16(3,4)17)14(20)18-12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyYNCDRNQGUAGUHG-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
2-amino-2-methyl-N-phenylpropanamide;hydrochloride
CID 53409029
2-isocyano-4-methyl-N-phenylpentanamide
CID 71322028
N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
ethyl 4-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]benzoate
CID 6453882
(2S)-2-(carbamoylamino)-4-methyl-N-(4-methylphenyl)pentanamide
CID 7910463
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoate
CID 103954730
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
(2S)-2-(carbamoylamino)-4-methyl-N-(4-phenoxyphenyl)pentanamide
CID 7824756
2-[[(2S)-1-[[(2S)-1-anilino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]propanoic acid
CID 10249027
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
CID 163211996

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide?
The IUPAC name of 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide (CID 67891223) is 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide.
What is the SMILES notation for 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide?
The canonical SMILES for 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide is CC(C)CC(NC(=O)C(C)(C)N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide?
The InChIKey is YNCDRNQGUAGUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)10-13(19-15(21)16(3,4)17)14(20)18-12-8-6-5-7-9-12/h5-9,11,13H,10,17H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide?
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide has a molecular weight of 291.39 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide is sourced from PubChem (CID 67891223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).