3-(4-methylphenyl)-N-pentylprop-2-enamide

C15H21NO — CID 3568321

IUPAC3-(4-methylphenyl)-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C15H21NO/c1-3-4-5-12-16-15(17)11-10-14-8-6-13(2)7-9-14/h6-11H,3-5,12H2,1-2H3,(H,16,17)
InChIKeyZROQQTALTCUUKR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.31
Rot. Bonds6

About 3-(4-methylphenyl)-N-pentylprop-2-enamide

3-(4-methylphenyl)-N-pentylprop-2-enamide (PubChem CID 3568321) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-pentylprop-2-enamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-pentylprop-2-enamide
PubChem CID3568321
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-(4-methylphenyl)-N-pentylprop-2-enamide
SMILESCCCCCNC(=O)C=Cc1ccc(C)cc1
InChIInChI=1S/C15H21NO/c1-3-4-5-12-16-15(17)11-10-14-8-6-13(2)7-9-14/h6-11H,3-5,12H2,1-2H3,(H,16,17)
InChIKeyZROQQTALTCUUKR-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.31
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-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
CID 6024199
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221
(E)-3-(4-methylphenyl)-N-(4-phenylbutyl)prop-2-enamide
CID 6293212
3-(3,4-dimethoxyphenyl)-N-pentylprop-2-enamide
CID 3544026

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-pentylprop-2-enamide?
The IUPAC name of 3-(4-methylphenyl)-N-pentylprop-2-enamide (CID 3568321) is 3-(4-methylphenyl)-N-pentylprop-2-enamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-pentylprop-2-enamide?
The canonical SMILES for 3-(4-methylphenyl)-N-pentylprop-2-enamide is CCCCCNC(=O)C=Cc1ccc(C)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-pentylprop-2-enamide?
The InChIKey is ZROQQTALTCUUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-4-5-12-16-15(17)11-10-14-8-6-13(2)7-9-14/h6-11H,3-5,12H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-methylphenyl)-N-pentylprop-2-enamide?
3-(4-methylphenyl)-N-pentylprop-2-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-pentylprop-2-enamide is sourced from PubChem (CID 3568321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).