N-(2-tridecylphenyl)prop-2-enamide

C22H35NO — CID 175316873

IUPACN-(2-tridecylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CCCCCCCCCCCCC
InChIInChI=1S/C22H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)23-22(24)4-2/h4,15-16,18-19H,2-3,5-14,17H2,1H3,(H,23,24)
InChIKeyNHTAXNHHAZPKPE-UHFFFAOYSA-N
MW329.53 g/mol
LogP6.66
Rot. Bonds14

About N-(2-tridecylphenyl)prop-2-enamide

N-(2-tridecylphenyl)prop-2-enamide (PubChem CID 175316873) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is N-(2-tridecylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-tridecylphenyl)prop-2-enamide
PubChem CID175316873
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC NameN-(2-tridecylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1CCCCCCCCCCCCC
InChIInChI=1S/C22H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)23-22(24)4-2/h4,15-16,18-19H,2-3,5-14,17H2,1H3,(H,23,24)
InChIKeyNHTAXNHHAZPKPE-UHFFFAOYSA-N
XLogP6.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 56.66
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

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(2-nonylphenyl)carbamodithioic acid;hydrate
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N-(2-ethylphenyl)heptanamide
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carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
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N-(2-butylphenyl)-2-chloroacetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-tridecylphenyl)prop-2-enamide?
The IUPAC name of N-(2-tridecylphenyl)prop-2-enamide (CID 175316873) is N-(2-tridecylphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-tridecylphenyl)prop-2-enamide?
The canonical SMILES for N-(2-tridecylphenyl)prop-2-enamide is C=CC(=O)Nc1ccccc1CCCCCCCCCCCCC.
What is the InChIKey of N-(2-tridecylphenyl)prop-2-enamide?
The InChIKey is NHTAXNHHAZPKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-3-5-6-7-8-9-10-11-12-13-14-17-20-18-15-16-19-21(20)23-22(24)4-2/h4,15-16,18-19H,2-3,5-14,17H2,1H3,(H,23,24).
What are the key properties of N-(2-tridecylphenyl)prop-2-enamide?
N-(2-tridecylphenyl)prop-2-enamide has a molecular weight of 329.53 g/mol, XLogP of 6.66, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tridecylphenyl)prop-2-enamide is sourced from PubChem (CID 175316873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).