N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide

C13H19NO3 — CID 71195446

IUPACN-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOC[C@H](Cc1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C13H19NO3/c1-10(15)14-12(9-16-2)8-11-4-6-13(17-3)7-5-11/h4-7,12H,8-9H2,1-3H3,(H,14,15)/t12-/m0/s1
InChIKeyNJDWHCFFYRTXKQ-LBPRGKRZSA-N
MW237.30 g/mol
LogP1.39
Rot. Bonds6

About N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide

N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide (PubChem CID 71195446) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
PubChem CID71195446
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
SMILESCOC[C@H](Cc1ccc(OC)cc1)NC(C)=O
InChIInChI=1S/C13H19NO3/c1-10(15)14-12(9-16-2)8-11-4-6-13(17-3)7-5-11/h4-7,12H,8-9H2,1-3H3,(H,14,15)/t12-/m0/s1
InChIKeyNJDWHCFFYRTXKQ-LBPRGKRZSA-N
XLogP1.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-ol
CID 101107331
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 118117352
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 114155384
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
[(2R)-2-acetamido-3-phenylpropyl] carbamate
CID 138394001
N-(1-hydroxy-3-methoxypropan-2-yl)-4-methoxybenzamide
CID 114078956
3-(2-hydroxyethylamino)-4-(4-methoxyphenyl)butanoic acid
CID 82350647
2,2,2-trifluoro-N-[1-(4-methoxyphenyl)butan-2-yl]acetamide
CID 15034414

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide (CID 71195446) is N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide is COC[C@H](Cc1ccc(OC)cc1)NC(C)=O.
What is the InChIKey of N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
The InChIKey is NJDWHCFFYRTXKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)14-12(9-16-2)8-11-4-6-13(17-3)7-5-11/h4-7,12H,8-9H2,1-3H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide?
N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxy-3-(4-methoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 71195446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).