N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

C20H24ClNO3 — CID 110300954

IUPACN-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C(=O)NCc2ccccc2Cl)C(C)C)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-13(2)19(14-9-10-17(24-3)18(11-14)25-4)20(23)22-12-15-7-5-6-8-16(15)21/h5-11,13,19H,12H2,1-4H3,(H,22,23)
InChIKeyUYQWKKYYCWFQCB-UHFFFAOYSA-N
MW361.87 g/mol
LogP4.41
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 110300954) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
PubChem CID110300954
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C(=O)NCc2ccccc2Cl)C(C)C)cc1OC
InChIInChI=1S/C20H24ClNO3/c1-13(2)19(14-9-10-17(24-3)18(11-14)25-4)20(23)22-12-15-7-5-6-8-16(15)21/h5-11,13,19H,12H2,1-4H3,(H,22,23)
InChIKeyUYQWKKYYCWFQCB-UHFFFAOYSA-N
XLogP4.41
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110301025
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
3-(2-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 127121205
2-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110300940
N-[(2-chlorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 9437289
2-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3-methylbutanamide
CID 4264169
N-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110307535
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2,5-dimethoxybenzoate
CID 55421387
N-[(2-chlorophenyl)methyl]-2-[[2-(3,4-dimethoxyphenyl)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 133213399

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (CID 110300954) is N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is COc1ccc(C(C(=O)NCc2ccccc2Cl)C(C)C)cc1OC.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is UYQWKKYYCWFQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-13(2)19(14-9-10-17(24-3)18(11-14)25-4)20(23)22-12-15-7-5-6-8-16(15)21/h5-11,13,19H,12H2,1-4H3,(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 361.87 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 110300954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).