(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide

C16H23NO — CID 55593221

IUPAC(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCCC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-13(2)5-4-12-17-16(18)11-10-15-8-6-14(3)7-9-15/h6-11,13H,4-5,12H2,1-3H3,(H,17,18)/b11-10+
InChIKeyQDAGQXXRZVKODQ-ZHACJKMWSA-N
MW245.37 g/mol
LogP3.56
Rot. Bonds6

About (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide

(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide (PubChem CID 55593221) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
PubChem CID55593221
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCCC(C)C)cc1
InChIInChI=1S/C16H23NO/c1-13(2)5-4-12-17-16(18)11-10-15-8-6-14(3)7-9-15/h6-11,13H,4-5,12H2,1-3H3,(H,17,18)/b11-10+
InChIKeyQDAGQXXRZVKODQ-ZHACJKMWSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
N-(3-hydroxy-4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 111460772
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
N-cyclopropyl-4-[(E)-3-(4-methylpentylamino)-3-oxoprop-1-enyl]benzamide
CID 33077788
(Z)-3-(4-propan-2-ylphenyl)-N-[4-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butyl]prop-2-enamide
CID 92971155
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
(E)-3-(3-amino-4-methylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 39349426
(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 90244607
N-(3-methylbutyl)-3-(4-nitrophenyl)prop-2-enamide
CID 2837045

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide (CID 55593221) is (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCCC(C)C)cc1.
What is the InChIKey of (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is QDAGQXXRZVKODQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)5-4-12-17-16(18)11-10-15-8-6-14(3)7-9-15/h6-11,13H,4-5,12H2,1-3H3,(H,17,18)/b11-10+.
What are the key properties of (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide?
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 245.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 55593221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).