N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide

C23H27N3O2 — CID 54839268

IUPACN-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(NC(=O)c2ccccc2)c1)NCCC1=CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(24-15-14-18-8-3-1-4-9-18)17-25-20-12-7-13-21(16-20)26-23(28)19-10-5-2-6-11-19/h2,5-8,10-13,16,25H,1,3-4,9,14-15,17H2,(H,24,27)(H,26,28)
InChIKeyBYSZHLMOBIJJCV-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.36
Rot. Bonds8

About N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54839268) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54839268
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(NC(=O)c2ccccc2)c1)NCCC1=CCCCC1
InChIInChI=1S/C23H27N3O2/c27-22(24-15-14-18-8-3-1-4-9-18)17-25-20-12-7-13-21(16-20)26-23(28)19-10-5-2-6-11-19/h2,5-8,10-13,16,25H,1,3-4,9,14-15,17H2,(H,24,27)(H,26,28)
InChIKeyBYSZHLMOBIJJCV-UHFFFAOYSA-N
XLogP4.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
3-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845679
N-[3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]phenyl]benzamide
CID 54839094
3-bromo-N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 46652282
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835848
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
CID 54829291
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide (CID 54839268) is N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide is O=C(CNc1cccc(NC(=O)c2ccccc2)c1)NCCC1=CCCCC1.
What is the InChIKey of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is BYSZHLMOBIJJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(24-15-14-18-8-3-1-4-9-18)17-25-20-12-7-13-21(16-20)26-23(28)19-10-5-2-6-11-19/h2,5-8,10-13,16,25H,1,3-4,9,14-15,17H2,(H,24,27)(H,26,28).
What are the key properties of N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54839268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).