2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide

C23H30N2O3 — CID 42852958

IUPAC2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)COC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-13-24(3)22(26)15-19-9-11-21(12-10-19)25(23(27)17-28-4)16-20-8-6-7-18(2)14-20/h6-12,14H,5,13,15-17H2,1-4H3
InChIKeyKLUUHXAFSQLWOU-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.59
Rot. Bonds9

About 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide

2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide (PubChem CID 42852958) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
PubChem CID42852958
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)COC)cc1
InChIInChI=1S/C23H30N2O3/c1-5-13-24(3)22(26)15-19-9-11-21(12-10-19)25(23(27)17-28-4)16-20-8-6-7-18(2)14-20/h6-12,14H,5,13,15-17H2,1-4H3
InChIKeyKLUUHXAFSQLWOU-UHFFFAOYSA-N
XLogP3.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 46046632
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882
ethyl 1-[2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]acetyl]piperidine-3-carboxylate
CID 46046884
N-[4-[2-[benzyl(methyl)amino]-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 46052683
N-[(3-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]propanamide
CID 46046597
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
N-[(2-methoxyphenyl)methyl]-4-methyl-N-[4-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]benzamide
CID 46046689
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
(E)-N-benzyl-N-[3-[2-[methyl(propyl)amino]-2-oxoethyl]phenyl]-3-phenylprop-2-enamide
CID 42859330
N-(5-chloropentyl)-N-methyl-2-(3-methylphenyl)acetamide
CID 107205663
ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
N-(2-methoxyethyl)-2-[4-[(3-methylphenyl)methyl-(prop-2-enylcarbamoyl)amino]phenyl]acetamide
CID 46046893

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide (CID 42852958) is 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)COC)cc1.
What is the InChIKey of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide?
The InChIKey is KLUUHXAFSQLWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-13-24(3)22(26)15-19-9-11-21(12-10-19)25(23(27)17-28-4)16-20-8-6-7-18(2)14-20/h6-12,14H,5,13,15-17H2,1-4H3.
What are the key properties of 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide?
2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide has a molecular weight of 382.50 g/mol, XLogP of 3.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyacetyl)-[(3-methylphenyl)methyl]amino]phenyl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 42852958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).