2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide

C30H44N2O4 — CID 17233378

IUPAC2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCCCCCCCCNC(=O)c1ccccc1OCCCC
InChIInChI=1S/C30H44N2O4/c1-3-5-23-35-27-19-13-11-17-25(27)29(33)31-21-15-9-7-8-10-16-22-32-30(34)26-18-12-14-20-28(26)36-24-6-4-2/h11-14,17-20H,3-10,15-16,21-24H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyJSBJHVOZMZYJQY-UHFFFAOYSA-N
MW496.69 g/mol
LogP6.54
Rot. Bonds19

About 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide

2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide (PubChem CID 17233378) has the molecular formula C30H44N2O4 and a molecular weight of 496.69 g/mol. Its IUPAC name is 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
PubChem CID17233378
Molecular FormulaC30H44N2O4
Molecular Weight496.69 g/mol
Exact Mass496.33
IUPAC Name2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCCCCCCCCNC(=O)c1ccccc1OCCCC
InChIInChI=1S/C30H44N2O4/c1-3-5-23-35-27-19-13-11-17-25(27)29(33)31-21-15-9-7-8-10-16-22-32-30(34)26-18-12-14-20-28(26)36-24-6-4-2/h11-14,17-20H,3-10,15-16,21-24H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyJSBJHVOZMZYJQY-UHFFFAOYSA-N
XLogP6.54
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.69
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]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

N-(6-aminohexyl)-2-dodecoxybenzamide
CID 10319064
N-(2-aminoethyl)-2-hexoxybenzamide
CID 90319052
2-methoxy-N-tridecylbenzamide
CID 139819873
2-propoxy-N-propylbenzamide
CID 58831728
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
2-butoxy-N-prop-2-enylbenzamide
CID 4941031
2-decoxy-1-N,4-N-dioctadecylbenzene-1,4-dicarboxamide
CID 101292937
1-N,4-N-di(octacosyl)-2-tetradecoxybenzene-1,4-dicarboxamide
CID 101293047
2-heptadecoxy-1-N,4-N-di(pentacosyl)benzene-1,4-dicarboxamide
CID 101293119
2-(2-amino-2-oxoethoxy)-N-butylbenzamide
CID 36711020
2-hexoxy-1-N,4-N-di(tetradecyl)benzene-1,4-dicarboxamide
CID 101292833
2-dodecoxy-1-N,4-N-dioctylbenzene-1,4-dicarboxamide
CID 101292977

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide?
The IUPAC name of 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide (CID 17233378) is 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide?
The canonical SMILES for 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide is CCCCOc1ccccc1C(=O)NCCCCCCCCNC(=O)c1ccccc1OCCCC.
What is the InChIKey of 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide?
The InChIKey is JSBJHVOZMZYJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N2O4/c1-3-5-23-35-27-19-13-11-17-25(27)29(33)31-21-15-9-7-8-10-16-22-32-30(34)26-18-12-14-20-28(26)36-24-6-4-2/h11-14,17-20H,3-10,15-16,21-24H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide?
2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide has a molecular weight of 496.69 g/mol, XLogP of 6.54, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[8-[(2-butoxybenzoyl)amino]octyl]benzamide is sourced from PubChem (CID 17233378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).