11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide

C30H38N2O3 — CID 102065939

IUPAC11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C30H38N2O3/c1-24(2)30(35)31-23-13-8-6-4-3-5-7-12-16-29(34)32-27-20-18-26(19-21-27)28(33)22-17-25-14-10-9-11-15-25/h9-11,14-15,17-22H,1,3-8,12-13,16,23H2,2H3,(H,31,35)(H,32,34)/b22-17+
InChIKeyNHDSENMZVXREDX-OQKWZONESA-N
MW474.65 g/mol
LogP6.72
Rot. Bonds16

About 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide

11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide (PubChem CID 102065939) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide.

Molecular Properties

Compound Name11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide
PubChem CID102065939
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC Name11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide
SMILESC=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C30H38N2O3/c1-24(2)30(35)31-23-13-8-6-4-3-5-7-12-16-29(34)32-27-20-18-26(19-21-27)28(33)22-17-25-14-10-9-11-15-25/h9-11,14-15,17-22H,1,3-8,12-13,16,23H2,2H3,(H,31,35)(H,32,34)/b22-17+
InChIKeyNHDSENMZVXREDX-OQKWZONESA-N
XLogP6.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-benzoylphenyl)-4-(2-methylprop-2-enoylamino)butanamide
CID 141452779
N-(4-hydroxyphenyl)-11-(2-methylprop-2-enoylamino)undecanamide
CID 101032616
6-(2-oxopropanoylamino)-N-phenylhexanamide
CID 162677801
N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide
CID 166451315
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-dodecyl-2-methylprop-2-enamide;styrene
CID 174861897
4-(octanoylamino)-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 129437818
2,2,2-trifluoro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]acetamide
CID 163752454
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
4-[3-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 9441769
3-[4-(6-oxoheptanoylamino)phenyl]prop-2-enoic acid
CID 54350030
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827

Frequently Asked Questions

What is the IUPAC name of 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide?
The IUPAC name of 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide (CID 102065939) is 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide.
What is the SMILES notation for 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide?
The canonical SMILES for 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide is C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide?
The InChIKey is NHDSENMZVXREDX-OQKWZONESA-N. The full InChI is InChI=1S/C30H38N2O3/c1-24(2)30(35)31-23-13-8-6-4-3-5-7-12-16-29(34)32-27-20-18-26(19-21-27)28(33)22-17-25-14-10-9-11-15-25/h9-11,14-15,17-22H,1,3-8,12-13,16,23H2,2H3,(H,31,35)(H,32,34)/b22-17+.
What are the key properties of 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide?
11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide has a molecular weight of 474.65 g/mol, XLogP of 6.72, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-methylprop-2-enoylamino)-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]undecanamide is sourced from PubChem (CID 102065939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).