N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide

C17H23NO — CID 91381283

IUPACN-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(C(C)C)C2CC=CCC2)cc1
InChIInChI=1S/C17H23NO/c1-13(2)18(16-7-5-4-6-8-16)17(19)15-11-9-14(3)10-12-15/h4-5,9-13,16H,6-8H2,1-3H3
InChIKeyASEYGVKMRXXQOO-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.95
Rot. Bonds3

About N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide

N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide (PubChem CID 91381283) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide
PubChem CID91381283
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide
SMILESCc1ccc(C(=O)N(C(C)C)C2CC=CCC2)cc1
InChIInChI=1S/C17H23NO/c1-13(2)18(16-7-5-4-6-8-16)17(19)15-11-9-14(3)10-12-15/h4-5,9-13,16H,6-8H2,1-3H3
InChIKeyASEYGVKMRXXQOO-UHFFFAOYSA-N
XLogP3.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-[methyl-(4-methylbenzoyl)amino]phenyl] cyclohex-3-ene-1-carboxylate
CID 60594523
2-[(1R)-cyclohex-3-en-1-yl]-1-(4-methylphenyl)ethanone
CID 162401384
N-[[4-[[(1R)-cyclohex-3-en-1-yl]methoxy]phenyl]methyl]-N-cyclopropyl-4-methylbenzamide
CID 26348614
[8-(cyclohex-3-ene-1-carbonyloxy)naphthalen-1-yl] 4-methylbenzoate
CID 67394201
2-[cyclopentyl(ethyl)amino]-1-(4-methylphenyl)propan-1-one
CID 43796353
(1R)-N-[(2R)-1-(4-methylphenyl)sulfonylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 99625988
2-[cyclopropylmethyl(propan-2-yl)amino]-1-(4-methylphenyl)propan-1-one
CID 55000088
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
4-ethoxy-N-propan-2-yl-N-pyrrolidin-3-ylbenzamide
CID 82177255
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 94797927
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide (CID 91381283) is N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide is Cc1ccc(C(=O)N(C(C)C)C2CC=CCC2)cc1.
What is the InChIKey of N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide?
The InChIKey is ASEYGVKMRXXQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)18(16-7-5-4-6-8-16)17(19)15-11-9-14(3)10-12-15/h4-5,9-13,16H,6-8H2,1-3H3.
What are the key properties of N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide?
N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide has a molecular weight of 257.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-4-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 91381283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).