(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide

C16H25N3O2 — CID 103928627

IUPAC(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-6-13(20)18-11-8-7-10(2)12(9-11)19-15(21)14(17)16(3,4)5/h7-9,14H,6,17H2,1-5H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyASZBWTUPXDLDRY-AWEZNQCLSA-N
MW291.40 g/mol
LogP2.66
Rot. Bonds4

About (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide (PubChem CID 103928627) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
PubChem CID103928627
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)[C@H](N)C(C)(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-6-13(20)18-11-8-7-10(2)12(9-11)19-15(21)14(17)16(3,4)5/h7-9,14H,6,17H2,1-5H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyASZBWTUPXDLDRY-AWEZNQCLSA-N
XLogP2.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 43700724
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
(2S)-N-(3-acetamido-4-methylphenyl)-2-amino-3,3-dimethylbutanamide
CID 61178466
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
(2S,3S)-2-amino-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]pentanamide
CID 61156327
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
N-[5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 119866426
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide (CID 103928627) is (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide is CCC(=O)Nc1ccc(C)c(NC(=O)[C@H](N)C(C)(C)C)c1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
The InChIKey is ASZBWTUPXDLDRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-6-13(20)18-11-8-7-10(2)12(9-11)19-15(21)14(17)16(3,4)5/h7-9,14H,6,17H2,1-5H3,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[2-methyl-5-(propanoylamino)phenyl]butanamide is sourced from PubChem (CID 103928627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).