3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide

C19H22N2O3 — CID 119042263

IUPAC3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
SMILESCCc1ccc(CNC(=O)CCOc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-14-6-8-15(9-7-14)13-21-18(22)10-11-24-17-5-3-4-16(12-17)19(20)23/h3-9,12H,2,10-11,13H2,1H3,(H2,20,23)(H,21,22)
InChIKeySCICTPJCZRQKOS-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.43
Rot. Bonds8

About 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide

3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide (PubChem CID 119042263) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
PubChem CID119042263
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide
SMILESCCc1ccc(CNC(=O)CCOc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C19H22N2O3/c1-2-14-6-8-15(9-7-14)13-21-18(22)10-11-24-17-5-3-4-16(12-17)19(20)23/h3-9,12H,2,10-11,13H2,1H3,(H2,20,23)(H,21,22)
InChIKeySCICTPJCZRQKOS-UHFFFAOYSA-N
XLogP2.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[2-(methylamino)ethylamino]-3-oxopropoxy]benzamide;hydrochloride
CID 119504319
3-propoxybenzamide
CID 22311435
4-[(4-phenoxybutanoylamino)methyl]benzamide
CID 51152240
[2-[(4-ethylphenyl)methylamino]-2-oxoethyl] 3-methoxybenzoate
CID 46860529
3-(3-aminophenoxy)-N-[(4-bromophenyl)methyl]propanamide
CID 61091366
3-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]benzamide
CID 60530584
3-(4-ethylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 108795745
3-(3-ethylphenoxy)propanehydrazide
CID 63575003
2-(3-ethylphenoxy)ethyl 4-[(carbamoylamino)methyl]benzoate
CID 55338836
(2S)-2-[3-(3-carbamoylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 119359380
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide?
The IUPAC name of 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide (CID 119042263) is 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide.
What is the SMILES notation for 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide?
The canonical SMILES for 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide is CCc1ccc(CNC(=O)CCOc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide?
The InChIKey is SCICTPJCZRQKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-14-6-8-15(9-7-14)13-21-18(22)10-11-24-17-5-3-4-16(12-17)19(20)23/h3-9,12H,2,10-11,13H2,1H3,(H2,20,23)(H,21,22).
What are the key properties of 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide?
3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-ethylphenyl)methylamino]-3-oxopropoxy]benzamide is sourced from PubChem (CID 119042263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).