N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide

C22H26N2O2 — CID 26161245

IUPACN-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-3-4-5-9-21(25)23-19-7-6-8-20(16-19)24-22(26)15-14-18-12-10-17(2)11-13-18/h6-8,10-16H,3-5,9H2,1-2H3,(H,23,25)(H,24,26)/b15-14+
InChIKeyQOHMDGVEIJSJQW-CCEZHUSRSA-N
MW350.46 g/mol
LogP5.17
Rot. Bonds8

About N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide

N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide (PubChem CID 26161245) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
PubChem CID26161245
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1
InChIInChI=1S/C22H26N2O2/c1-3-4-5-9-21(25)23-19-7-6-8-20(16-19)24-22(26)15-14-18-12-10-17(2)11-13-18/h6-8,10-16H,3-5,9H2,1-2H3,(H,23,25)(H,24,26)/b15-14+
InChIKeyQOHMDGVEIJSJQW-CCEZHUSRSA-N
XLogP5.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.17
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-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]hexanamide
CID 26161868
N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
CID 6119425
(E)-N-(3-acetamidophenyl)-3-(4-methylphenyl)prop-2-enamide
CID 7741781
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N-(3-sulfanylphenyl)heptanamide
CID 173451208
4-tert-butyl-N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 17232322
3-(4-methylphenyl)-N-(3-nitrophenyl)prop-2-enamide
CID 759724
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-aminophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 84551872
3-[4-(decanoylamino)phenyl]prop-2-enoic acid
CID 70242495
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 31520708

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide (CID 26161245) is N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1.
What is the InChIKey of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide?
The InChIKey is QOHMDGVEIJSJQW-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-4-5-9-21(25)23-19-7-6-8-20(16-19)24-22(26)15-14-18-12-10-17(2)11-13-18/h6-8,10-16H,3-5,9H2,1-2H3,(H,23,25)(H,24,26)/b15-14+.
What are the key properties of N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide?
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide has a molecular weight of 350.46 g/mol, XLogP of 5.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide is sourced from PubChem (CID 26161245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).