4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C19H27N3O2 — CID 31671944

IUPAC4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-22(2)19(24)16-8-10-17(11-9-16)21-14-18(23)20-13-12-15-6-4-3-5-7-15/h6,8-11,21H,3-5,7,12-14H2,1-2H3,(H,20,23)
InChIKeyUULIOKUXFPSFKJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds7

About 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 31671944) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID31671944
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCC(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C19H27N3O2/c1-22(2)19(24)16-8-10-17(11-9-16)21-14-18(23)20-13-12-15-6-4-3-5-7-15/h6,8-11,21H,3-5,7,12-14H2,1-2H3,(H,20,23)
InChIKeyUULIOKUXFPSFKJ-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
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

4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54835848
2-[4-(azepane-1-carbonyl)anilino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 54834873
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837486
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-2-ylamino)acetamide
CID 31665923
2-(4-chloro-3-fluoroanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 55898788
3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54841270
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54835510
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839268
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54811825
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dichloroanilino)acetamide
CID 108993986

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 31671944) is 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCC(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is UULIOKUXFPSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(2)19(24)16-8-10-17(11-9-16)21-14-18(23)20-13-12-15-6-4-3-5-7-15/h6,8-11,21H,3-5,7,12-14H2,1-2H3,(H,20,23).
What are the key properties of 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 329.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 31671944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).