(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide

C14H22N2O3 — CID 42313650

IUPAC(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-5-9(2)13(15)14(17)16-10-6-7-11(18-3)12(8-10)19-4/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t9-,13-/m0/s1
InChIKeyUYVIZNWUHIXABL-ZANVPECISA-N
MW266.34 g/mol
LogP2.02
Rot. Bonds6

About (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide

(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide (PubChem CID 42313650) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
PubChem CID42313650
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-5-9(2)13(15)14(17)16-10-6-7-11(18-3)12(8-10)19-4/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t9-,13-/m0/s1
InChIKeyUYVIZNWUHIXABL-ZANVPECISA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
(2S)-2-amino-N-(4-bromo-3-methoxyphenyl)-3-methylpentanamide
CID 113314970
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
N-(3,4-dimethoxyphenyl)-3-(ethylamino)-2-methylpropanamide
CID 55123166
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
2-bromo-N-(3,4-dimethoxyphenyl)propanamide
CID 25219542
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide (CID 42313650) is (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide?
The InChIKey is UYVIZNWUHIXABL-ZANVPECISA-N. The full InChI is InChI=1S/C14H22N2O3/c1-5-9(2)13(15)14(17)16-10-6-7-11(18-3)12(8-10)19-4/h6-9,13H,5,15H2,1-4H3,(H,16,17)/t9-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide?
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide has a molecular weight of 266.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 42313650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).