4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C22H28N2O4 — CID 51155127

IUPAC4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(CN(C)C(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)20(23-21(25)17-8-12-19(28-5)13-9-17)22(26)24(3)14-16-6-10-18(27-4)11-7-16/h6-13,15,20H,14H2,1-5H3,(H,23,25)
InChIKeyULKUTPVWEWNQGZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.12
Rot. Bonds8

About 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 51155127) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
PubChem CID51155127
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
SMILESCOc1ccc(CN(C)C(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)20(23-21(25)17-8-12-19(28-5)13-9-17)22(26)24(3)14-16-6-10-18(27-4)11-7-16/h6-13,15,20H,14H2,1-5H3,(H,23,25)
InChIKeyULKUTPVWEWNQGZ-UHFFFAOYSA-N
XLogP3.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S,3S)-1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 31240518
N-[(2S)-1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 7613130
4-methoxy-N-[(2S)-3-methyl-1-[methyl(thiophen-2-ylmethyl)amino]-1-oxobutan-2-yl]benzamide
CID 7997601
N-[1-[(3-amino-2,2-dimethylpropyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 119654327
N-[(2R,3R)-1-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 32959766
2-acetamido-N-[(6-methoxynaphthalen-2-yl)methyl]-N,3-dimethylbutanamide
CID 18116972
4-fluoro-N-[3-methyl-1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 42904951
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
methyl 4-[[(2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoyl]oxymethyl]benzoate
CID 7568295
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
N-[1-[cyclopentyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51268308

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 51155127) is 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COc1ccc(CN(C)C(=O)C(NC(=O)c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
The InChIKey is ULKUTPVWEWNQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)20(23-21(25)17-8-12-19(28-5)13-9-17)22(26)24(3)14-16-6-10-18(27-4)11-7-16/h6-13,15,20H,14H2,1-5H3,(H,23,25).
What are the key properties of 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?
4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[(4-methoxyphenyl)methyl-methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51155127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).