2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide

C12H25N3O2 — CID 80542489

IUPAC2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C(C)CCN
InChIInChI=1S/C12H25N3O2/c1-8(2)7-10(12(17)14-4)15-11(16)9(3)5-6-13/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyRJPWKZLFIMLTPK-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.25
Rot. Bonds7

About 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide

2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide (PubChem CID 80542489) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
PubChem CID80542489
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide
SMILESCNC(=O)C(CC(C)C)NC(=O)C(C)CCN
InChIInChI=1S/C12H25N3O2/c1-8(2)7-10(12(17)14-4)15-11(16)9(3)5-6-13/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyRJPWKZLFIMLTPK-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[1-[[6-amino-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylhexanamide
CID 59979804
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamic acid
CID 174999957
1-(aminomethyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclopentane-1-carboxamide
CID 115434776
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
methyl (2S)-2-[(5-amino-2-methylpentanoyl)amino]-4-methylpentanoate
CID 104685550
N,4-dimethyl-2-(methylamino)pentanamide
CID 72516454
2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
2-[(2-chloroacetyl)amino]-N,4-dimethylpentanamide
CID 43695584
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725
2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-N,4-dimethylpentanamide
CID 22955432
(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]butanoic acid
CID 131954423

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide?
The IUPAC name of 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide (CID 80542489) is 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide.
What is the SMILES notation for 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide?
The canonical SMILES for 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide is CNC(=O)C(CC(C)C)NC(=O)C(C)CCN.
What is the InChIKey of 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide?
The InChIKey is RJPWKZLFIMLTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)7-10(12(17)14-4)15-11(16)9(3)5-6-13/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide?
2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methylbutanoyl)amino]-N,4-dimethylpentanamide is sourced from PubChem (CID 80542489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).