N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide

C23H26N2O3 — CID 34179021

IUPACN-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)CCOc2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H26N2O3/c26-22(14-15-28-21-4-2-1-3-5-21)25(20-12-13-20)16-17-6-8-18(9-7-17)23(27)24-19-10-11-19/h1-9,19-20H,10-16H2,(H,24,27)
InChIKeyLPEMQGCCRNUTCO-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.54
Rot. Bonds9

About N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide (PubChem CID 34179021) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
PubChem CID34179021
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)CCOc2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H26N2O3/c26-22(14-15-28-21-4-2-1-3-5-21)25(20-12-13-20)16-17-6-8-18(9-7-17)23(27)24-19-10-11-19/h1-9,19-20H,10-16H2,(H,24,27)
InChIKeyLPEMQGCCRNUTCO-UHFFFAOYSA-N
XLogP3.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179247
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
N-cyclopropyl-4-[[cyclopropyl-[3-(2,4-dioxoquinazolin-1-yl)propanoyl]amino]methyl]benzamide
CID 33345317
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide (CID 34179021) is N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C(=O)CCOc2ccccc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide?
The InChIKey is LPEMQGCCRNUTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(14-15-28-21-4-2-1-3-5-21)25(20-12-13-20)16-17-6-8-18(9-7-17)23(27)24-19-10-11-19/h1-9,19-20H,10-16H2,(H,24,27).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide is sourced from PubChem (CID 34179021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).