N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide

C17H24N2O2 — CID 2649390

IUPACN-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCC1CCC(NC(=O)CCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-7-9-15(10-8-13)19-16(20)11-12-18-17(21)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyDOSFSYAULSDUEK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds5

About N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide

N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide (PubChem CID 2649390) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
PubChem CID2649390
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide
SMILESCC1CCC(NC(=O)CCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-7-9-15(10-8-13)19-16(20)11-12-18-17(21)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,21)(H,19,20)
InChIKeyDOSFSYAULSDUEK-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Procarbazine
CID 4915
Procarbazine Hydrochloride
CID 9703
Melinamide
CID 20054967
N-Propylbenzamide
CID 25354
Amylase
CID 71475145
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024
1-Benzoylpiperazine
CID 762654
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N-Benzoylbenzylamine
CID 73878
4-methyl-N-(2-phenylethyl)benzamide
CID 723105
4-(1,1-Dimethylethyl)-N-(phenylmethyl)benzamide
CID 809338

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide (CID 2649390) is N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide is CC1CCC(NC(=O)CCNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
The InChIKey is DOSFSYAULSDUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-7-9-15(10-8-13)19-16(20)11-12-18-17(21)14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide?
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 2649390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).