4-[(4-butoxybenzoyl)amino]-N-methylbenzamide

C19H22N2O3 — CID 9164625

IUPAC4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-4-13-24-17-11-7-15(8-12-17)19(23)21-16-9-5-14(6-10-16)18(22)20-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyONEKDWWPCVYJGW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.48
Rot. Bonds7

About 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide

4-[(4-butoxybenzoyl)amino]-N-methylbenzamide (PubChem CID 9164625) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
PubChem CID9164625
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(C(=O)NC)cc2)cc1
InChIInChI=1S/C19H22N2O3/c1-3-4-13-24-17-11-7-15(8-12-17)19(23)21-16-9-5-14(6-10-16)18(22)20-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyONEKDWWPCVYJGW-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'}

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Related Compounds

N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(4-butoxybenzoyl)carbamothioylamino]-N-methylbenzamide
CID 28642930
4-heptoxy-N-methylbenzamide
CID 3291691
sodium 4-[(4-butoxybenzoyl)amino]benzoate
CID 23690385
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-iodophenyl)-4-pentoxybenzamide
CID 4935000
N-(4-cyanophenyl)-4-decoxybenzamide
CID 101059552
4-pentoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 17340246
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide?
The IUPAC name of 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide (CID 9164625) is 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide?
The canonical SMILES for 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide is CCCCOc1ccc(C(=O)Nc2ccc(C(=O)NC)cc2)cc1.
What is the InChIKey of 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide?
The InChIKey is ONEKDWWPCVYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-4-13-24-17-11-7-15(8-12-17)19(23)21-16-9-5-14(6-10-16)18(22)20-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide?
4-[(4-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 4-[(4-butoxybenzoyl)amino]-N-methylbenzamide is sourced from PubChem (CID 9164625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).