N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide

C14H21NO3 — CID 97249003

IUPACN-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C[C@@H](C)CNC(C)=O)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(9-15-11(2)16)7-12-5-6-13(17-3)14(8-12)18-4/h5-6,8,10H,7,9H2,1-4H3,(H,15,16)/t10-/m1/s1
InChIKeyPINALYNMFZHMBG-SNVBAGLBSA-N
MW251.33 g/mol
LogP2.02
Rot. Bonds6

About N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide

N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide (PubChem CID 97249003) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
PubChem CID97249003
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
SMILESCOc1ccc(C[C@@H](C)CNC(C)=O)cc1OC
InChIInChI=1S/C14H21NO3/c1-10(9-15-11(2)16)7-12-5-6-13(17-3)14(8-12)18-4/h5-6,8,10H,7,9H2,1-4H3,(H,15,16)/t10-/m1/s1
InChIKeyPINALYNMFZHMBG-SNVBAGLBSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)-3-methylbutyl]acetamide
CID 110314862
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
3-chloro-4-(3,4-dimethoxyphenyl)butan-2-one
CID 82185003
methyl 4-(3,4-dimethoxyphenyl)-2-hydroxy-3-methylbutanoate
CID 66289003

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide?
The IUPAC name of N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide (CID 97249003) is N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide is COc1ccc(C[C@@H](C)CNC(C)=O)cc1OC.
What is the InChIKey of N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide?
The InChIKey is PINALYNMFZHMBG-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(9-15-11(2)16)7-12-5-6-13(17-3)14(8-12)18-4/h5-6,8,10H,7,9H2,1-4H3,(H,15,16)/t10-/m1/s1.
What are the key properties of N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide?
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 97249003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).