N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide

C25H33NO — CID 134246359

IUPACN,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCc1ccc(-c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C25H33NO/c1-5-6-7-9-21-11-15-23(16-12-21)24-17-13-22(14-18-24)10-8-19-26(4)25(27)20(2)3/h11-18H,2,5-10,19H2,1,3-4H3
InChIKeyHGJAFXGHSPOWAQ-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.05
Rot. Bonds10

About N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide

N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide (PubChem CID 134246359) has the molecular formula C25H33NO and a molecular weight of 363.55 g/mol. Its IUPAC name is N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide
PubChem CID134246359
Molecular FormulaC25H33NO
Molecular Weight363.55 g/mol
Exact Mass363.26
IUPAC NameN,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide
SMILESC=C(C)C(=O)N(C)CCCc1ccc(-c2ccc(CCCCC)cc2)cc1
InChIInChI=1S/C25H33NO/c1-5-6-7-9-21-11-15-23(16-12-21)24-17-13-22(14-18-24)10-8-19-26(4)25(27)20(2)3/h11-18H,2,5-10,19H2,1,3-4H3
InChIKeyHGJAFXGHSPOWAQ-UHFFFAOYSA-N
XLogP6.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.05
H-Bond Donors ≤ 50
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

N-[2-[3-ethyl-4-(4-pentylphenyl)phenoxy]ethyl]-N,2-dimethylprop-2-enamide
CID 162236405
[4-[4-(4-octylphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 159911565
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
N-[3-[4-(4-butoxyphenyl)phenyl]propyl]-N-methylprop-2-enamide
CID 134246358
N-[4-[4-(N-acetyl-4-butylanilino)phenyl]phenyl]-N-(4-butylphenyl)acetamide
CID 58250843
N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489
1-[4-(4-heptylphenyl)phenyl]propane-1,2-dione
CID 20673138
3-[4-(4-heptylphenyl)phenyl]propanoic acid
CID 21182264
4-(4-dodecylphenyl)benzoic acid
CID 3092136
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
4-[4-(4-pentylphenyl)phenyl]but-3-yn-2-one
CID 20673193

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide?
The IUPAC name of N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide (CID 134246359) is N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide.
What is the SMILES notation for N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide?
The canonical SMILES for N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide is C=C(C)C(=O)N(C)CCCc1ccc(-c2ccc(CCCCC)cc2)cc1.
What is the InChIKey of N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide?
The InChIKey is HGJAFXGHSPOWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO/c1-5-6-7-9-21-11-15-23(16-12-21)24-17-13-22(14-18-24)10-8-19-26(4)25(27)20(2)3/h11-18H,2,5-10,19H2,1,3-4H3.
What are the key properties of N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide?
N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide has a molecular weight of 363.55 g/mol, XLogP of 6.05, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[3-[4-(4-pentylphenyl)phenyl]propyl]prop-2-enamide is sourced from PubChem (CID 134246359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).