N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide

C28H32N2O3 — CID 46046689

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
SMILESCCCN(C)C(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-5-18-29(3)27(31)19-22-12-16-25(17-13-22)30(20-24-8-6-7-9-26(24)33-4)28(32)23-14-10-21(2)11-15-23/h6-17H,5,18-20H2,1-4H3
InChIKeyDUIHBMHUCKGGDN-UHFFFAOYSA-N
MW444.58 g/mol
LogP5.26
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide

N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide (PubChem CID 46046689) has the molecular formula C28H32N2O3 and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
PubChem CID46046689
Molecular FormulaC28H32N2O3
Molecular Weight444.58 g/mol
Exact Mass444.24
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
SMILESCCCN(C)C(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H32N2O3/c1-5-18-29(3)27(31)19-22-12-16-25(17-13-22)30(20-24-8-6-7-9-26(24)33-4)28(32)23-14-10-21(2)11-15-23/h6-17H,5,18-20H2,1-4H3
InChIKeyDUIHBMHUCKGGDN-UHFFFAOYSA-N
XLogP5.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.58
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[2-[4-[(2-methoxyphenyl)methyl-(4-methylbenzoyl)amino]phenyl]acetyl]piperidine-3-carboxylate
CID 93291348
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
CID 42852958
2-(4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287852
N-[(2-methoxyphenyl)methyl]-N-methyl-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 28578521
N-benzyl-N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-3-methoxybenzamide
CID 46052547
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788
N-[2-(2-methoxyphenyl)ethyl]-N-methyl-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 86892040
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 100568377
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 4828554
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide (CID 46046689) is N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide is CCCN(C)C(=O)Cc1ccc(N(Cc2ccccc2OC)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
The InChIKey is DUIHBMHUCKGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3/c1-5-18-29(3)27(31)19-22-12-16-25(17-13-22)30(20-24-8-6-7-9-26(24)33-4)28(32)23-14-10-21(2)11-15-23/h6-17H,5,18-20H2,1-4H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide has a molecular weight of 444.58 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide is sourced from PubChem (CID 46046689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).