2-[(3-butoxybenzoyl)amino]-N-methylbenzamide

C19H22N2O3 — CID 17354046

IUPAC2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC)c1
InChIInChI=1S/C19H22N2O3/c1-3-4-12-24-15-9-7-8-14(13-15)18(22)21-17-11-6-5-10-16(17)19(23)20-2/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHAIFBDMWUYVPDO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds7

About 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide

2-[(3-butoxybenzoyl)amino]-N-methylbenzamide (PubChem CID 17354046) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
PubChem CID17354046
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC)c1
InChIInChI=1S/C19H22N2O3/c1-3-4-12-24-15-9-7-8-14(13-15)18(22)21-17-11-6-5-10-16(17)19(23)20-2/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHAIFBDMWUYVPDO-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide 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

2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
2-[(3-butoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4957132
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
N-methyl-2-[(3-pentoxybenzoyl)amino]thiophene-3-carboxamide
CID 7167233
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide?
The IUPAC name of 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide (CID 17354046) is 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide?
The canonical SMILES for 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide is CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NC)c1.
What is the InChIKey of 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide?
The InChIKey is HAIFBDMWUYVPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-4-12-24-15-9-7-8-14(13-15)18(22)21-17-11-6-5-10-16(17)19(23)20-2/h5-11,13H,3-4,12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide?
2-[(3-butoxybenzoyl)amino]-N-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-butoxybenzoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 17354046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).