3-[(3-butoxybenzoyl)amino]-N-propylbenzamide

C21H26N2O3 — CID 17222720

IUPAC3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(C(=O)NCCC)c2)c1
InChIInChI=1S/C21H26N2O3/c1-3-5-13-26-19-11-7-9-17(15-19)21(25)23-18-10-6-8-16(14-18)20(24)22-12-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJSKFVVCWJXXUQB-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.26
Rot. Bonds9

About 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide

3-[(3-butoxybenzoyl)amino]-N-propylbenzamide (PubChem CID 17222720) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
PubChem CID17222720
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[(3-butoxybenzoyl)amino]-N-propylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2cccc(C(=O)NCCC)c2)c1
InChIInChI=1S/C21H26N2O3/c1-3-5-13-26-19-11-7-9-17(15-19)21(25)23-18-10-6-8-16(14-18)20(24)22-12-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJSKFVVCWJXXUQB-UHFFFAOYSA-N
XLogP4.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.26
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

3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184
3-[(4-butoxybenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 17219011
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
3-butoxy-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]benzamide
CID 17232374
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-[(3-butoxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 17230964
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865

Frequently Asked Questions

What is the IUPAC name of 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide?
The IUPAC name of 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide (CID 17222720) is 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide?
The canonical SMILES for 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide is CCCCOc1cccc(C(=O)Nc2cccc(C(=O)NCCC)c2)c1.
What is the InChIKey of 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide?
The InChIKey is JSKFVVCWJXXUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-5-13-26-19-11-7-9-17(15-19)21(25)23-18-10-6-8-16(14-18)20(24)22-12-4-2/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide?
3-[(3-butoxybenzoyl)amino]-N-propylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-butoxybenzoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 17222720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).