N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide

C17H24N2O — CID 63108480

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCC1CC=CCC1
InChIInChI=1S/C17H24N2O/c1-2-12-18-16-11-7-6-10-15(16)17(20)19-13-14-8-4-3-5-9-14/h3-4,6-7,10-11,14,18H,2,5,8-9,12-13H2,1H3,(H,19,20)
InChIKeyBOVHKQJMKQSAFW-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.59
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide

N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide (PubChem CID 63108480) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
PubChem CID63108480
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCC1CC=CCC1
InChIInChI=1S/C17H24N2O/c1-2-12-18-16-11-7-6-10-15(16)17(20)19-13-14-8-4-3-5-9-14/h3-4,6-7,10-11,14,18H,2,5,8-9,12-13H2,1H3,(H,19,20)
InChIKeyBOVHKQJMKQSAFW-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.59
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-[(4-methylcyclohexyl)methyl]-2-(propylamino)benzamide
CID 63501540
2-bromo-N-(cyclohex-3-en-1-ylmethyl)benzamide
CID 47436865
N-(2-cyclopropyl-2-hydroxyethyl)-2-(propylamino)benzamide
CID 63297170
2-(propylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80586609
2-(ethylamino)-N-[(4-methylcyclohexyl)methyl]benzamide
CID 63244405
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(propylamino)benzamide
CID 62168218
N-cyclooctyl-2-(propylamino)benzamide
CID 63500402
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide (CID 63108480) is N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide?
The InChIKey is BOVHKQJMKQSAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-12-18-16-11-7-6-10-15(16)17(20)19-13-14-8-4-3-5-9-14/h3-4,6-7,10-11,14,18H,2,5,8-9,12-13H2,1H3,(H,19,20).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide?
N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide has a molecular weight of 272.39 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(propylamino)benzamide is sourced from PubChem (CID 63108480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).