(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide

C16H26N2O3 — CID 61164051

IUPAC(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-11(2)15(17)16(19)18(3)10-12-7-8-13(20-4)14(9-12)21-5/h7-9,11,15H,6,10,17H2,1-5H3/t11-,15-/m0/s1
InChIKeyDHKBQPIQHSRKNH-NHYWBVRUSA-N
MW294.40 g/mol
LogP2.04
Rot. Bonds7

About (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide

(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide (PubChem CID 61164051) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
PubChem CID61164051
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-11(2)15(17)16(19)18(3)10-12-7-8-13(20-4)14(9-12)21-5/h7-9,11,15H,6,10,17H2,1-5H3/t11-,15-/m0/s1
InChIKeyDHKBQPIQHSRKNH-NHYWBVRUSA-N
XLogP2.04
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614
2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide;hydrochloride
CID 119683628
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N,3-dimethylpentanamide
CID 60938179
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
2-amino-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54939409
2-amino-N,3-dimethyl-N-[(3-nitrophenyl)methyl]pentanamide
CID 60944611

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide (CID 61164051) is (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide is CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide?
The InChIKey is DHKBQPIQHSRKNH-NHYWBVRUSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-11(2)15(17)16(19)18(3)10-12-7-8-13(20-4)14(9-12)21-5/h7-9,11,15H,6,10,17H2,1-5H3/t11-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide?
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 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)methyl]-N,3-dimethylpentanamide is sourced from PubChem (CID 61164051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).