N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide

C23H28N2O2 — CID 39968084

IUPACN-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
SMILESCC(C)c1ccc(CN(C(=O)CCNC(=O)c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-17(2)19-10-8-18(9-11-19)16-25(21-12-13-21)22(26)14-15-24-23(27)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,24,27)
InChIKeyVAQOSXUFFCYDPU-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.12
Rot. Bonds8

About N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide

N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide (PubChem CID 39968084) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
PubChem CID39968084
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide
SMILESCC(C)c1ccc(CN(C(=O)CCNC(=O)c2ccccc2)C2CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-17(2)19-10-8-18(9-11-19)16-25(21-12-13-21)22(26)14-15-24-23(27)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,24,27)
InChIKeyVAQOSXUFFCYDPU-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 9479104
N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 38252259
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]-2-fluorobenzamide
CID 9479093
4-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]pentanamide
CID 120559362
N-cyclopropyl-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 55615480
N-cyclopropyl-2-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]acetamide;hydrochloride
CID 119693001
N-cyclopropyl-3-[(4-methylphenyl)sulfonylamino]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 9479145
N-[3-[cyclopropyl-(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 51113496
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-cyclopropyl-2-(2-hydroxyphenoxy)-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 78813389
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-[3-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]-4-nitrobenzamide
CID 9298690

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide (CID 39968084) is N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide is CC(C)c1ccc(CN(C(=O)CCNC(=O)c2ccccc2)C2CC2)cc1.
What is the InChIKey of N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is VAQOSXUFFCYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-17(2)19-10-8-18(9-11-19)16-25(21-12-13-21)22(26)14-15-24-23(27)20-6-4-3-5-7-20/h3-11,17,21H,12-16H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide?
N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 39968084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).