N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide

C26H33NO2 — CID 143792921

IUPACN-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(C)c(/C=C\C=C(/C)CC)c2)c1
InChIInChI=1S/C26H33NO2/c1-5-7-16-29-25-13-9-11-22(17-25)19-27-26(28)24-15-14-21(4)23(18-24)12-8-10-20(3)6-2/h8-15,17-18H,5-7,16,19H2,1-4H3,(H,27,28)/b12-8-,20-10+
InChIKeyQENNFVLUEJNEAY-PIBLRHIOSA-N
MW391.56 g/mol
LogP6.47
Rot. Bonds10

About N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide

N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide (PubChem CID 143792921) has the molecular formula C26H33NO2 and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide
PubChem CID143792921
Molecular FormulaC26H33NO2
Molecular Weight391.56 g/mol
Exact Mass391.25
IUPAC NameN-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide
SMILESCCCCOc1cccc(CNC(=O)c2ccc(C)c(/C=C\C=C(/C)CC)c2)c1
InChIInChI=1S/C26H33NO2/c1-5-7-16-29-25-13-9-11-22(17-25)19-27-26(28)24-15-14-21(4)23(18-24)12-8-10-20(3)6-2/h8-15,17-18H,5-7,16,19H2,1-4H3,(H,27,28)/b12-8-,20-10+
InChIKeyQENNFVLUEJNEAY-PIBLRHIOSA-N
XLogP6.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide 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

4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
CID 46415615
N-[(3-butoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86996111
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
4-(benzenesulfonamido)-N-[(3-butoxyphenyl)methyl]benzamide
CID 60517147
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
N-[(3-butoxyphenyl)methyl]-3-ethylthiophene-2-carboxamide
CID 60566887
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[[3-[4-(3-phenylphenoxy)butoxy]phenyl]methyl]benzamide
CID 173183634

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide (CID 143792921) is N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide is CCCCOc1cccc(CNC(=O)c2ccc(C)c(/C=C\C=C(/C)CC)c2)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide?
The InChIKey is QENNFVLUEJNEAY-PIBLRHIOSA-N. The full InChI is InChI=1S/C26H33NO2/c1-5-7-16-29-25-13-9-11-22(17-25)19-27-26(28)24-15-14-21(4)23(18-24)12-8-10-20(3)6-2/h8-15,17-18H,5-7,16,19H2,1-4H3,(H,27,28)/b12-8-,20-10+.
What are the key properties of N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide?
N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide has a molecular weight of 391.56 g/mol, XLogP of 6.47, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]-4-methyl-3-[(1Z,3E)-4-methylhexa-1,3-dienyl]benzamide is sourced from PubChem (CID 143792921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).