4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide

C26H27N3O2 — CID 52667442

IUPAC4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-2-18-27-25(30)22-13-15-23(16-14-22)29-26(31)28-19-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-16,24H,1,17-19H2,(H,27,30)(H2,28,29,31)
InChIKeyZXRZGBFCMANSSX-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.95
Rot. Bonds9

About 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide

4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide (PubChem CID 52667442) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
PubChem CID52667442
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H27N3O2/c1-2-18-27-25(30)22-13-15-23(16-14-22)29-26(31)28-19-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-16,24H,1,17-19H2,(H,27,30)(H2,28,29,31)
InChIKeyZXRZGBFCMANSSX-UHFFFAOYSA-N
XLogP4.95
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
4-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]benzamide
CID 55540187
1-(3,4-dichlorophenyl)-3-(3,3-diphenylpropyl)urea
CID 3334285
1-(4-phenylphenyl)-3-prop-2-enylurea
CID 23990496
N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 87010679
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
4-[1-(3-acetamidophenyl)ethylcarbamoylamino]-N-prop-2-enylbenzamide
CID 55834926
N-[3-(3,3-diphenylpropylcarbamoylamino)phenyl]acetamide
CID 31957316
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314
4-N-(4-acetamidophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043595

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide (CID 52667442) is 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NC(=O)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide?
The InChIKey is ZXRZGBFCMANSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-2-18-27-25(30)22-13-15-23(16-14-22)29-26(31)28-19-17-24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h2-16,24H,1,17-19H2,(H,27,30)(H2,28,29,31).
What are the key properties of 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide?
4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.95, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 52667442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).