4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide

C16H23N3O — CID 79730453

IUPAC4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-2-11-18-16(20)12-3-7-14(8-4-12)19-15-9-5-13(17)6-10-15/h2-4,7-8,13,15,19H,1,5-6,9-11,17H2,(H,18,20)
InChIKeyASUAQQVYLNXZAA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.28
Rot. Bonds5

About 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide

4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide (PubChem CID 79730453) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
PubChem CID79730453
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC2CCC(N)CC2)cc1
InChIInChI=1S/C16H23N3O/c1-2-11-18-16(20)12-3-7-14(8-4-12)19-15-9-5-13(17)6-10-15/h2-4,7-8,13,15,19H,1,5-6,9-11,17H2,(H,18,20)
InChIKeyASUAQQVYLNXZAA-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.28
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

4-[(4-aminocyclohexyl)amino]-N-(2-hydroxyethyl)benzamide
CID 79731100
4-[(1-methylpyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 62976548
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-cyclohexyl-N'-[4-(prop-2-enylcarbamoyl)phenyl]oxamide
CID 155945860
4-formamido-N-prop-2-enylbenzamide
CID 64992358
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-[(2,2-dimethylcyclopentyl)amino]-N-prop-2-enylbenzamide
CID 79860273
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119740941
4-N-cycloheptyl-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043526
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-N-prop-2-enylbenzamide
CID 82823800
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373
4-[(2,5-dioxopyrrolidin-3-yl)amino]-N-prop-2-enylbenzamide
CID 60933489

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide (CID 79730453) is 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC2CCC(N)CC2)cc1.
What is the InChIKey of 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is ASUAQQVYLNXZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-11-18-16(20)12-3-7-14(8-4-12)19-15-9-5-13(17)6-10-15/h2-4,7-8,13,15,19H,1,5-6,9-11,17H2,(H,18,20).
What are the key properties of 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide?
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 79730453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).