2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide

C20H24N2O3 — CID 4936280

IUPAC2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-5-14-25-16-12-10-15(11-13-16)19(23)21-18-9-7-6-8-17(18)20(24)22(2)3/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyLQMPRTAITUAUHO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.82
Rot. Bonds7

About 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide

2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide (PubChem CID 4936280) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
PubChem CID4936280
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1
InChIInChI=1S/C20H24N2O3/c1-4-5-14-25-16-12-10-15(11-13-16)19(23)21-18-9-7-6-8-17(18)20(24)22(2)3/h6-13H,4-5,14H2,1-3H3,(H,21,23)
InChIKeyLQMPRTAITUAUHO-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938525
2-[(4-hexoxybenzoyl)carbamothioylamino]-N,N-dimethylbenzamide
CID 4934165
N-ethyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933761
methyl 2-[(4-pentoxybenzoyl)amino]benzoate
CID 4935100
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 4959553
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
5-bromo-2-butoxy-N-[2-(dimethylcarbamoyl)phenyl]benzamide
CID 17350057
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342801

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide (CID 4936280) is 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide is CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1.
What is the InChIKey of 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is LQMPRTAITUAUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-4-5-14-25-16-12-10-15(11-13-16)19(23)21-18-9-7-6-8-17(18)20(24)22(2)3/h6-13H,4-5,14H2,1-3H3,(H,21,23).
What are the key properties of 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide?
2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butoxybenzoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 4936280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).