3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide

C21H26N2O3 — CID 46415615

IUPAC3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCCCOc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-13-26-19-11-9-17(10-12-19)20(24)22-15-16-7-6-8-18(14-16)21(25)23(2)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,22,24)
InChIKeyRGVKJFSZXSKGHR-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.50
Rot. Bonds8

About 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide

3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide (PubChem CID 46415615) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
PubChem CID46415615
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide
SMILESCCCCOc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-13-26-19-11-9-17(10-12-19)20(24)22-15-16-7-6-8-18(14-16)21(25)23(2)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,22,24)
InChIKeyRGVKJFSZXSKGHR-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.50
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

4-butoxy-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15136982
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843
4-butoxy-N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]benzamide
CID 7478451
N-[(3-butoxyphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 55749632
N-benzyl-3-[(4-hexoxybenzoyl)amino]benzamide
CID 28638882
4-[[[N-[(3-butoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874378
3,4-dichloro-N-[[3-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 46424594
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-ethoxybenzamide
CID 46415447
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413
N-[[3-[2-(4-phenoxyphenoxy)ethoxy]phenyl]methyl]benzamide
CID 173183648
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N,N-dimethyl-3-propoxybenzamide
CID 28639811

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide (CID 46415615) is 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide is CCCCOc1ccc(C(=O)NCc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is RGVKJFSZXSKGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-13-26-19-11-9-17(10-12-19)20(24)22-15-16-7-6-8-18(14-16)21(25)23(2)3/h6-12,14H,4-5,13,15H2,1-3H3,(H,22,24).
What are the key properties of 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide?
3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-butoxybenzoyl)amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 46415615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).