4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide

C16H22N2O — CID 64919057

IUPAC4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(CC)C2CC2)cc1
InChIInChI=1S/C16H22N2O/c1-3-11-17-16(19)13-7-9-14(10-8-13)18-15(4-2)12-5-6-12/h3,7-10,12,15,18H,1,4-6,11H2,2H3,(H,17,19)
InChIKeyZDRGDKQHUUKLAG-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.20
Rot. Bonds7

About 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide

4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide (PubChem CID 64919057) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide
PubChem CID64919057
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(CC)C2CC2)cc1
InChIInChI=1S/C16H22N2O/c1-3-11-17-16(19)13-7-9-14(10-8-13)18-15(4-2)12-5-6-12/h3,7-10,12,15,18H,1,4-6,11H2,2H3,(H,17,19)
InChIKeyZDRGDKQHUUKLAG-UHFFFAOYSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.20
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

4-(1-cyclopropylpropylamino)-N,N-dimethylbenzamide
CID 64919471
methyl 4-(1-cyclopropylpropylamino)benzoate
CID 64917542
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595
4-[(2-hydroxycyclopentanecarbonyl)amino]-N-prop-2-enylbenzamide
CID 110015373
4-(1-cyclopropylpropylamino)phenol
CID 64918837
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-hydrazinyl-N-prop-2-enylbenzamide
CID 138742315
N-[4-(1-cyclopropylpropylamino)phenyl]-2-methoxyacetamide
CID 64920329
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
4-formamido-N-prop-2-enylbenzamide
CID 64992358
4-[(4-aminocyclohexyl)amino]-N-prop-2-enylbenzamide
CID 79730453
4-[[3-(ethylamino)-2-methylpropanoyl]amino]-N-prop-2-enylbenzamide
CID 62853093

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide (CID 64919057) is 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(CC)C2CC2)cc1.
What is the InChIKey of 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide?
The InChIKey is ZDRGDKQHUUKLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-11-17-16(19)13-7-9-14(10-8-13)18-15(4-2)12-5-6-12/h3,7-10,12,15,18H,1,4-6,11H2,2H3,(H,17,19).
What are the key properties of 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide?
4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide has a molecular weight of 258.37 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 64919057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).