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

C24H28N2O2 — CID 134062285

IUPACN-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
SMILESCC(CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-17(19-5-3-2-4-6-19)15-23(27)26(22-13-14-22)16-18-7-9-20(10-8-18)24(28)25-21-11-12-21/h2-10,17,21-22H,11-16H2,1H3,(H,25,28)
InChIKeyKJPXAPNNBMEUNL-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.26
Rot. Bonds8

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

N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide (PubChem CID 134062285) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
PubChem CID134062285
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
SMILESCC(CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-17(19-5-3-2-4-6-19)15-23(27)26(22-13-14-22)16-18-7-9-20(10-8-18)24(28)25-21-11-12-21/h2-10,17,21-22H,11-16H2,1H3,(H,25,28)
InChIKeyKJPXAPNNBMEUNL-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
4-[[(2-cyclohexylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 46565694
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
4-benzyl-N-cyclopropylbenzamide
CID 45086871
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 39968084
N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
N-cyclopropyl-4-[[cyclopropyl-[2-(4-methoxyphenoxy)acetyl]amino]methyl]benzamide
CID 33341644
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide (CID 134062285) is N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide is CC(CC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1)c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide?
The InChIKey is KJPXAPNNBMEUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-17(19-5-3-2-4-6-19)15-23(27)26(22-13-14-22)16-18-7-9-20(10-8-18)24(28)25-21-11-12-21/h2-10,17,21-22H,11-16H2,1H3,(H,25,28).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide is sourced from PubChem (CID 134062285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).