2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

C23H28N2O3 — CID 55966441

IUPAC2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)28-19-12-8-17(9-13-19)14-15-24-22(26)20-6-4-5-7-21(20)25(3)23(27)18-10-11-18/h4-9,12-13,16,18H,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyBHVKFNYVPNBJAO-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.82
Rot. Bonds8

About 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 55966441) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID55966441
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-16(2)28-19-12-8-17(9-13-19)14-15-24-22(26)20-6-4-5-7-21(20)25(3)23(27)18-10-11-18/h4-9,12-13,16,18H,10-11,14-15H2,1-3H3,(H,24,26)
InChIKeyBHVKFNYVPNBJAO-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119252709
2-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]propanoic acid
CID 119224969
2-[cyclopropanecarbonyl(methyl)amino]-N-(2-phenylbutyl)benzamide
CID 46494345
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 86855571
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
4-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542790
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[cyclopropanecarbonyl(methyl)amino]-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]benzamide
CID 86938845
1-cyclopropyl-3-(4-propan-2-yloxyphenyl)propan-1-one
CID 64505005
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4683297

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (CID 55966441) is 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is BHVKFNYVPNBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(2)28-19-12-8-17(9-13-19)14-15-24-22(26)20-6-4-5-7-21(20)25(3)23(27)18-10-11-18/h4-9,12-13,16,18H,10-11,14-15H2,1-3H3,(H,24,26).
What are the key properties of 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 380.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropanecarbonyl(methyl)amino]-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55966441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).