N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide

C21H26N2O3 — CID 18090462

IUPACN-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCCC(NC(=O)CCNC(=O)c1ccccc1C)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-19(16-9-11-17(26-3)12-10-16)23-20(24)13-14-22-21(25)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHERZMDFNEGIXPP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.39
Rot. Bonds8

About N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 18090462) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID18090462
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCCC(NC(=O)CCNC(=O)c1ccccc1C)c1ccc(OC)cc1
InChIInChI=1S/C21H26N2O3/c1-4-19(16-9-11-17(26-3)12-10-16)23-20(24)13-14-22-21(25)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHERZMDFNEGIXPP-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-methyl-N-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]benzamide
CID 95763013
N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8935922
N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24544210
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
N-[3-[(2-amino-2-oxo-1-phenylethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 51315358
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 99132737
[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 3-[(2-methylbenzoyl)amino]propanoate
CID 55541862
2-bromo-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51187408
4-amino-N-[1-(4-methoxyphenyl)propyl]butanamide
CID 43708620
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide (CID 18090462) is N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide is CCC(NC(=O)CCNC(=O)c1ccccc1C)c1ccc(OC)cc1.
What is the InChIKey of N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is HERZMDFNEGIXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-19(16-9-11-17(26-3)12-10-16)23-20(24)13-14-22-21(25)18-8-6-5-7-15(18)2/h5-12,19H,4,13-14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(4-methoxyphenyl)propylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 18090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).