N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide

C19H26N2O2 — CID 33077788

IUPACN-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide
SMILESCC(C)CCCNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)4-3-13-20-18(22)12-7-15-5-8-16(9-6-15)19(23)21-17-10-11-17/h5-9,12,14,17H,3-4,10-11,13H2,1-2H3,(H,20,22)(H,21,23)/b12-7+
InChIKeyFQIOZYMJPZOINV-KPKJPENVSA-N
MW314.43 g/mol
LogP3.14
Rot. Bonds8

About N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide (PubChem CID 33077788) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide
PubChem CID33077788
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide
SMILESCC(C)CCCNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H26N2O2/c1-14(2)4-3-13-20-18(22)12-7-15-5-8-16(9-6-15)19(23)21-17-10-11-17/h5-9,12,14,17H,3-4,10-11,13H2,1-2H3,(H,20,22)(H,21,23)/b12-7+
InChIKeyFQIOZYMJPZOINV-KPKJPENVSA-N
XLogP3.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
ethyl 4-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]butanoate
CID 37254949
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
4-[(E)-3-[[2-(tert-butylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35714063
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
N-cyclopropyl-4-[3-[2-(2-methylphenoxy)ethylamino]-3-oxoprop-1-enyl]benzamide
CID 55907831
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
N-cyclopropyl-4-[(E)-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 35561461
4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35504342
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide (CID 33077788) is N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide is CC(C)CCCNC(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide?
The InChIKey is FQIOZYMJPZOINV-KPKJPENVSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(2)4-3-13-20-18(22)12-7-15-5-8-16(9-6-15)19(23)21-17-10-11-17/h5-9,12,14,17H,3-4,10-11,13H2,1-2H3,(H,20,22)(H,21,23)/b12-7+.
What are the key properties of N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 33077788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).