4-(3-methylbut-2-enoylamino)-N-propylbenzamide

C15H20N2O2 — CID 47312802

IUPAC4-(3-methylbut-2-enoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)C=C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-4-9-16-15(19)12-5-7-13(8-6-12)17-14(18)10-11(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCIBKEZGHORDTSE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.73
Rot. Bonds5

About 4-(3-methylbut-2-enoylamino)-N-propylbenzamide

4-(3-methylbut-2-enoylamino)-N-propylbenzamide (PubChem CID 47312802) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3-methylbut-2-enoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-(3-methylbut-2-enoylamino)-N-propylbenzamide
PubChem CID47312802
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-(3-methylbut-2-enoylamino)-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NC(=O)C=C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-4-9-16-15(19)12-5-7-13(8-6-12)17-14(18)10-11(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCIBKEZGHORDTSE-UHFFFAOYSA-N
XLogP2.73
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(3-methylbut-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 30822215
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]-N-propylbenzamide
CID 17218767
pentyl 4-(3-methylbut-2-enoylamino)benzoate
CID 19177465
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-prop-2-enyl-4-(propylcarbamoylamino)benzamide
CID 47265151
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enoylamino)-N-propylbenzamide?
The IUPAC name of 4-(3-methylbut-2-enoylamino)-N-propylbenzamide (CID 47312802) is 4-(3-methylbut-2-enoylamino)-N-propylbenzamide.
What is the SMILES notation for 4-(3-methylbut-2-enoylamino)-N-propylbenzamide?
The canonical SMILES for 4-(3-methylbut-2-enoylamino)-N-propylbenzamide is CCCNC(=O)c1ccc(NC(=O)C=C(C)C)cc1.
What is the InChIKey of 4-(3-methylbut-2-enoylamino)-N-propylbenzamide?
The InChIKey is CIBKEZGHORDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-9-16-15(19)12-5-7-13(8-6-12)17-14(18)10-11(2)3/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-(3-methylbut-2-enoylamino)-N-propylbenzamide?
4-(3-methylbut-2-enoylamino)-N-propylbenzamide has a molecular weight of 260.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enoylamino)-N-propylbenzamide is sourced from PubChem (CID 47312802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).