(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide

C12H18N2O2 — CID 61147125

IUPAC(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
SMILESCOc1c(C)ccc(NC(=O)[C@H](C)N)c1C
InChIInChI=1S/C12H18N2O2/c1-7-5-6-10(8(2)11(7)16-4)14-12(15)9(3)13/h5-6,9H,13H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyYQESVWMXLSEVLJ-VIFPVBQESA-N
MW222.29 g/mol
LogP1.60
Rot. Bonds3

About (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide

(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide (PubChem CID 61147125) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
PubChem CID61147125
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide
SMILESCOc1c(C)ccc(NC(=O)[C@H](C)N)c1C
InChIInChI=1S/C12H18N2O2/c1-7-5-6-10(8(2)11(7)16-4)14-12(15)9(3)13/h5-6,9H,13H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyYQESVWMXLSEVLJ-VIFPVBQESA-N
XLogP1.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)-3-methylbutanamide
CID 79011717
4-(3-methoxy-2,4-dimethylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497339
4-hydroxy-N-(3-methoxy-2,4-dimethylphenyl)pentanamide
CID 79203586
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
2,2,2-trifluoro-N-(3-methoxy-2,4-dimethylphenyl)acetamide
CID 62726523
4-amino-N-(3-methoxy-2,4-dimethylphenyl)benzamide
CID 43697374
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
N-(3-methoxy-2,4-dimethylphenyl)formamide
CID 64992554
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide (CID 61147125) is (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide is COc1c(C)ccc(NC(=O)[C@H](C)N)c1C.
What is the InChIKey of (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide?
The InChIKey is YQESVWMXLSEVLJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7-5-6-10(8(2)11(7)16-4)14-12(15)9(3)13/h5-6,9H,13H2,1-4H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide?
(2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-methoxy-2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 61147125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).