N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide

C23H26N2O2 — CID 48875034

IUPACN-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC1CC=CCC1
InChIInChI=1S/C23H26N2O2/c26-22(24-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)25-23(27)20-14-8-3-9-15-20/h1-4,6-9,12-15,18,21H,5,10-11,16-17H2,(H,24,26)(H,25,27)
InChIKeyNIAYBZAWTVBLKD-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.02
Rot. Bonds7

About N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide

N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 48875034) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID48875034
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC1CC=CCC1
InChIInChI=1S/C23H26N2O2/c26-22(24-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)25-23(27)20-14-8-3-9-15-20/h1-4,6-9,12-15,18,21H,5,10-11,16-17H2,(H,24,26)(H,25,27)
InChIKeyNIAYBZAWTVBLKD-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-oxo-1-phenyl-3-(piperidin-3-ylmethylamino)propyl]benzamide
CID 119461783
2-[[(3-benzamido-3-phenylpropanoyl)amino]methyl]-3-cyclopropylpropanoic acid
CID 166240795
N-[3-[(4-hydroxypyrrolidin-3-yl)methylamino]-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 120945393
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
3-benzamido-3-phenylpropanoic acid
CID 2834576
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
N-[3-[3-(methylamino)propylamino]-3-oxo-1-phenylpropyl]benzamide
CID 119431387
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide (CID 48875034) is N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)NCC1CC=CCC1.
What is the InChIKey of N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is NIAYBZAWTVBLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(24-17-18-10-4-1-5-11-18)16-21(19-12-6-2-7-13-19)25-23(27)20-14-8-3-9-15-20/h1-4,6-9,12-15,18,21H,5,10-11,16-17H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide?
N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 362.47 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohex-3-en-1-ylmethylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 48875034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).