N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide

C17H24N2O2 — CID 2553782

IUPACN-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-16(19-13-14-7-3-1-4-8-14)11-12-18-17(21)15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,21)(H,19,20)
InChIKeyCUOYVPWAEOQGSJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.50
Rot. Bonds6

About N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide

N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide (PubChem CID 2553782) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide
PubChem CID2553782
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H24N2O2/c20-16(19-13-14-7-3-1-4-8-14)11-12-18-17(21)15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,21)(H,19,20)
InChIKeyCUOYVPWAEOQGSJ-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide?
The IUPAC name of N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide (CID 2553782) is N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCC1CCCCC1.
What is the InChIKey of N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide?
The InChIKey is CUOYVPWAEOQGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16(19-13-14-7-3-1-4-8-14)11-12-18-17(21)15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide?
N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylmethylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 2553782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).