(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide

C12H18N2O3 — CID 54996224

IUPAC(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)[C@@H](C)N)cc1OC
InChIInChI=1S/C12H18N2O3/c1-7-5-10(16-3)11(17-4)6-9(7)14-12(15)8(2)13/h5-6,8H,13H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyQNCPCBRBOIFZCV-MRVPVSSYSA-N
MW238.29 g/mol
LogP1.30
Rot. Bonds4

About (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide

(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide (PubChem CID 54996224) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
PubChem CID54996224
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
SMILESCOc1cc(C)c(NC(=O)[C@@H](C)N)cc1OC
InChIInChI=1S/C12H18N2O3/c1-7-5-10(16-3)11(17-4)6-9(7)14-12(15)8(2)13/h5-6,8H,13H2,1-4H3,(H,14,15)/t8-/m1/s1
InChIKeyQNCPCBRBOIFZCV-MRVPVSSYSA-N
XLogP1.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)butanamide
CID 79024477
3-amino-4-(4,5-dimethoxy-2-methylanilino)-4-oxobutanoic acid
CID 64895496
(4,5-dimethoxy-2-methylphenyl)urea
CID 82492626
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
CID 115152223
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-amino-3-(4-methoxy-2,5-dimethylanilino)-3-oxopropanoic acid
CID 115179087
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
5-amino-N-(4,5-dimethoxy-2-methylphenyl)-4-methylpentanamide
CID 82012097
(2R)-2-(2-bromo-4-methylphenoxy)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51958225
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38910693
N-(5-chloro-4-methoxy-2-methylphenyl)-2-hydroxypropanamide
CID 115140378
(2S)-N-(4,5-dimethoxy-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 7751068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide (CID 54996224) is (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide is COc1cc(C)c(NC(=O)[C@@H](C)N)cc1OC.
What is the InChIKey of (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
The InChIKey is QNCPCBRBOIFZCV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-5-10(16-3)11(17-4)6-9(7)14-12(15)8(2)13/h5-6,8H,13H2,1-4H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide?
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide has a molecular weight of 238.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide is sourced from PubChem (CID 54996224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).