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

C20H24N2O3 — CID 4956581

IUPAC2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NCC)c1
InChIInChI=1S/C20H24N2O3/c1-3-5-13-25-16-10-8-9-15(14-16)19(23)22-18-12-7-6-11-17(18)20(24)21-4-2/h6-12,14H,3-5,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKUAQMRXUNPDNLS-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.87
Rot. Bonds8

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

2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide (PubChem CID 4956581) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide.

Molecular Properties

Compound Name2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
PubChem CID4956581
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
SMILESCCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NCC)c1
InChIInChI=1S/C20H24N2O3/c1-3-5-13-25-16-10-8-9-15(14-16)19(23)22-18-12-7-6-11-17(18)20(24)21-4-2/h6-12,14H,3-5,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKUAQMRXUNPDNLS-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.87
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

2-[(3-butoxybenzoyl)amino]-N-methylbenzamide
CID 17354046
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
N-benzyl-2-[(3-propoxybenzoyl)amino]benzamide
CID 4960084
2-[(3-butoxybenzoyl)amino]-N-cyclohexylbenzamide
CID 4956533
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
2-[(3-ethoxybenzoyl)carbamothioylamino]-N-ethylbenzamide
CID 4957748
2-[[3-(2-methylpropoxy)benzoyl]amino]-N-propylbenzamide
CID 17140344
N-benzyl-2-[(3-ethoxybenzoyl)amino]benzamide
CID 4957453
2-[[3-(2-phenoxyethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 4955048
2-[(3-butoxybenzoyl)carbamothioylamino]-N-propan-2-ylbenzamide
CID 4957132
3-butoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074307
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128

Frequently Asked Questions

What is the IUPAC name of 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide?
The IUPAC name of 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide (CID 4956581) is 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide.
What is the SMILES notation for 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide?
The canonical SMILES for 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide is CCCCOc1cccc(C(=O)Nc2ccccc2C(=O)NCC)c1.
What is the InChIKey of 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide?
The InChIKey is KUAQMRXUNPDNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-5-13-25-16-10-8-9-15(14-16)19(23)22-18-12-7-6-11-17(18)20(24)21-4-2/h6-12,14H,3-5,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide?
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.87, 8 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-ethylbenzamide is sourced from PubChem (CID 4956581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).