(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide

C19H25N3O2 — CID 167897955

IUPAC(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide
SMILESCc1cccc(Nc2cccc(NC(=O)[C@@H](N)C(C)(C)O)c2C)c1
InChIInChI=1S/C19H25N3O2/c1-12-7-5-8-14(11-12)21-15-9-6-10-16(13(15)2)22-18(23)17(20)19(3,4)24/h5-11,17,21,24H,20H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyNOPFRCFTDUVZCO-QGZVFWFLSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds5

About (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide

(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide (PubChem CID 167897955) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide
PubChem CID167897955
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide
SMILESCc1cccc(Nc2cccc(NC(=O)[C@@H](N)C(C)(C)O)c2C)c1
InChIInChI=1S/C19H25N3O2/c1-12-7-5-8-14(11-12)21-15-9-6-10-16(13(15)2)22-18(23)17(20)19(3,4)24/h5-11,17,21,24H,20H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyNOPFRCFTDUVZCO-QGZVFWFLSA-N
XLogP3.08
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
2-amino-N-(3-chloro-2-methylphenyl)-3,3-dimethylbutanamide
CID 76892391
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylbenzoic acid
CID 61153924
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
(2R)-2-amino-N-(2-bromo-4-methylphenyl)-3,3-dimethylbutanamide
CID 113353272
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717
(2S)-2-amino-3,3-dimethyl-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]butanamide
CID 119679340
(2S)-2-amino-N-(2,5-dimethylphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119669266
(2R)-2-amino-N-(2-hydroxy-3-methylphenyl)-3,3-dimethylbutanamide
CID 103930188
2,2-dimethyl-N-(3-methylphenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108967343
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide (CID 167897955) is (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide is Cc1cccc(Nc2cccc(NC(=O)[C@@H](N)C(C)(C)O)c2C)c1.
What is the InChIKey of (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide?
The InChIKey is NOPFRCFTDUVZCO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-7-5-8-14(11-12)21-15-9-6-10-16(13(15)2)22-18(23)17(20)19(3,4)24/h5-11,17,21,24H,20H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide?
(2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide has a molecular weight of 327.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydroxy-3-methyl-N-[2-methyl-3-(3-methylanilino)phenyl]butanamide is sourced from PubChem (CID 167897955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).