3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

C24H29N3O2 — CID 54837486

IUPAC3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NCC(=O)NCCC2=CCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-27(22-13-6-3-7-14-22)24(29)20-11-8-12-21(17-20)26-18-23(28)25-16-15-19-9-4-2-5-10-19/h3,6-9,11-14,17,26H,2,4-5,10,15-16,18H2,1H3,(H,25,28)
InChIKeyLGGRLLZGXNARNP-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.38
Rot. Bonds8

About 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide

3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (PubChem CID 54837486) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
PubChem CID54837486
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
SMILESCN(C(=O)c1cccc(NCC(=O)NCCC2=CCCCC2)c1)c1ccccc1
InChIInChI=1S/C24H29N3O2/c1-27(22-13-6-3-7-14-22)24(29)20-11-8-12-21(17-20)26-18-23(28)25-16-15-19-9-4-2-5-10-19/h3,6-9,11-14,17,26H,2,4-5,10,15-16,18H2,1H3,(H,25,28)
InChIKeyLGGRLLZGXNARNP-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
N-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-N-phenylbenzamide
CID 54837353
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 31671944
3-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845679
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837458
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
3-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837465
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-heptoxyanilino)acetamide
CID 54829291

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide (CID 54837486) is 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is CN(C(=O)c1cccc(NCC(=O)NCCC2=CCCCC2)c1)c1ccccc1.
What is the InChIKey of 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
The InChIKey is LGGRLLZGXNARNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-27(22-13-6-3-7-14-22)24(29)20-11-8-12-21(17-20)26-18-23(28)25-16-15-19-9-4-2-5-10-19/h3,6-9,11-14,17,26H,2,4-5,10,15-16,18H2,1H3,(H,25,28).
What are the key properties of 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide?
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide has a molecular weight of 391.52 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide is sourced from PubChem (CID 54837486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).