N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide

C30H33NO3 — CID 166451315

IUPACN-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H33NO3/c1-2-3-4-5-9-12-30(33)31-27-18-16-26(17-19-27)29(32)22-15-24-13-20-28(21-14-24)34-23-25-10-7-6-8-11-25/h6-8,10-11,13-22H,2-5,9,12,23H2,1H3,(H,31,33)/b22-15+
InChIKeyTUOKNDVQBLAWET-PXLXIMEGSA-N
MW455.60 g/mol
LogP7.46
Rot. Bonds13

About N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide

N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide (PubChem CID 166451315) has the molecular formula C30H33NO3 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide
PubChem CID166451315
Molecular FormulaC30H33NO3
Molecular Weight455.60 g/mol
Exact Mass455.25
IUPAC NameN-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C30H33NO3/c1-2-3-4-5-9-12-30(33)31-27-18-16-26(17-19-27)29(32)22-15-24-13-20-28(21-14-24)34-23-25-10-7-6-8-11-25/h6-8,10-11,13-22H,2-5,9,12,23H2,1H3,(H,31,33)/b22-15+
InChIKeyTUOKNDVQBLAWET-PXLXIMEGSA-N
XLogP7.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 57.46
H-Bond Donors ≤ 51
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 N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide 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-ethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591323
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
1-(4-aminophenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 53405756
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
3-[4-(decanoylamino)phenyl]prop-2-enoic acid
CID 70242495
(E)-1-(4-hexadecoxyphenyl)-3-(4-tetradecoxyphenyl)prop-2-en-1-one
CID 132575724
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
methyl 4-[[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzoate
CID 7946008
N-[(Z)-3-oxo-1-phenyl-3-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]anilino]prop-1-en-2-yl]benzamide
CID 22786855
4-[3-(4-hexoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
CID 71347268
[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide?
The IUPAC name of N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide (CID 166451315) is N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide.
What is the SMILES notation for N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide?
The canonical SMILES for N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide?
The InChIKey is TUOKNDVQBLAWET-PXLXIMEGSA-N. The full InChI is InChI=1S/C30H33NO3/c1-2-3-4-5-9-12-30(33)31-27-18-16-26(17-19-27)29(32)22-15-24-13-20-28(21-14-24)34-23-25-10-7-6-8-11-25/h6-8,10-11,13-22H,2-5,9,12,23H2,1H3,(H,31,33)/b22-15+.
What are the key properties of N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide?
N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide has a molecular weight of 455.60 g/mol, XLogP of 7.46, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]phenyl]octanamide is sourced from PubChem (CID 166451315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).