N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

C23H31NO2 — CID 158524676

IUPACN-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCCCCN(Cc1ccc(C(C)C)cc1)C(=O)Cc1ccccc1OC
InChIInChI=1S/C23H31NO2/c1-5-6-15-24(17-19-11-13-20(14-12-19)18(2)3)23(25)16-21-9-7-8-10-22(21)26-4/h7-14,18H,5-6,15-17H2,1-4H3
InChIKeyLJSLJEMSOKFSRS-UHFFFAOYSA-N
MW353.51 g/mol
LogP5.19
Rot. Bonds9

About N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide

N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 158524676) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID158524676
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC NameN-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide
SMILESCCCCN(Cc1ccc(C(C)C)cc1)C(=O)Cc1ccccc1OC
InChIInChI=1S/C23H31NO2/c1-5-6-15-24(17-19-11-13-20(14-12-19)18(2)3)23(25)16-21-9-7-8-10-22(21)26-4/h7-14,18H,5-6,15-17H2,1-4H3
InChIKeyLJSLJEMSOKFSRS-UHFFFAOYSA-N
XLogP5.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-2-(2-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 46983806
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
N-(2-aminoethyl)-2-(2-methoxyphenyl)-N-propylacetamide
CID 61349722
N-benzyl-N-butylpropanamide
CID 12502571
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
(2S)-3-[4-[2-[butyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethoxy]phenyl]-2-ethoxypropanoic acid
CID 11363054
N,N-dibutyl-2-(2-hydroxyphenyl)acetamide
CID 78916820
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-(2-methoxyphenyl)acetamide
CID 76910736
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
ethyl (2R,3S)-3-amino-4-(2-methoxyphenyl)-2-methylbutanoate
CID 124526085
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide (CID 158524676) is N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is CCCCN(Cc1ccc(C(C)C)cc1)C(=O)Cc1ccccc1OC.
What is the InChIKey of N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is LJSLJEMSOKFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-5-6-15-24(17-19-11-13-20(14-12-19)18(2)3)23(25)16-21-9-7-8-10-22(21)26-4/h7-14,18H,5-6,15-17H2,1-4H3.
What are the key properties of N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide?
N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 353.51 g/mol, XLogP of 5.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 158524676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).