(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide

C16H25N3O2 — CID 79011946

IUPAC(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-10(2)13(17)14(20)18-11-6-8-12(9-7-11)19-15(21)16(3,4)5/h6-10,13H,17H2,1-5H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeySNAYHCHICLAHLC-CYBMUJFWSA-N
MW291.39 g/mol
LogP2.59
Rot. Bonds4

About (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide

(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide (PubChem CID 79011946) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
PubChem CID79011946
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
SMILESCC(C)[C@@H](N)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-10(2)13(17)14(20)18-11-6-8-12(9-7-11)19-15(21)16(3,4)5/h6-10,13H,17H2,1-5H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeySNAYHCHICLAHLC-CYBMUJFWSA-N
XLogP2.59
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[3-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide
CID 61252448
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
N-[4-[(3-amino-2-methylpropanoyl)amino]phenyl]-2,2-dimethylpropanamide
CID 62668929
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
N-[4-(3-aminobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 61254421
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
CID 79011407
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
2,2-dimethyl-N-(4-propan-2-ylphenyl)propanamide
CID 3356940
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
2-amino-3-methyl-N-(4-propylphenyl)butanamide
CID 43378687
N-[4-(2-bromobutanoylamino)phenyl]-2,2-dimethylpropanamide
CID 62855176

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide (CID 79011946) is (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide is CC(C)[C@@H](N)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1.
What is the InChIKey of (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
The InChIKey is SNAYHCHICLAHLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10(2)13(17)14(20)18-11-6-8-12(9-7-11)19-15(21)16(3,4)5/h6-10,13H,17H2,1-5H3,(H,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide?
(2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(2,2-dimethylpropanoylamino)phenyl]-3-methylbutanamide is sourced from PubChem (CID 79011946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).