4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide

C20H24N2O3 — CID 17218775

IUPAC4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-12-21-20(24)16-8-10-17(11-9-16)22-19(23)15(3)25-18-7-5-6-14(2)13-18/h5-11,13,15H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCGIWRLABRZCZCU-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.54
Rot. Bonds7

About 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide

4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide (PubChem CID 17218775) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
PubChem CID17218775
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-4-12-21-20(24)16-8-10-17(11-9-16)22-19(23)15(3)25-18-7-5-6-14(2)13-18/h5-11,13,15H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyCGIWRLABRZCZCU-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425
N-(2-methoxyethyl)-3-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 17218985
butyl 4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 95076819
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4931446
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide?
The IUPAC name of 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide (CID 17218775) is 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide?
The canonical SMILES for 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)C(C)Oc2cccc(C)c2)cc1.
What is the InChIKey of 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide?
The InChIKey is CGIWRLABRZCZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-12-21-20(24)16-8-10-17(11-9-16)22-19(23)15(3)25-18-7-5-6-14(2)13-18/h5-11,13,15H,4,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide?
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide is sourced from PubChem (CID 17218775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).