N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide

C21H26N2O2 — CID 139304498

IUPACN-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
SMILESCCN(CCCN(C)C(=O)c1ccccc1C=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-23(16-18-10-5-4-6-11-18)15-9-14-22(2)21(25)20-13-8-7-12-19(20)17-24/h4-8,10-13,17H,3,9,14-16H2,1-2H3
InChIKeyMNWKBEXIKGDRDK-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds9

About N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide

N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide (PubChem CID 139304498) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
PubChem CID139304498
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide
SMILESCCN(CCCN(C)C(=O)c1ccccc1C=O)Cc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-23(16-18-10-5-4-6-11-18)15-9-14-22(2)21(25)20-13-8-7-12-19(20)17-24/h4-8,10-13,17H,3,9,14-16H2,1-2H3
InChIKeyMNWKBEXIKGDRDK-UHFFFAOYSA-N
XLogP3.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-formyl-N-heptyl-N-methylbenzamide
CID 144774360
ethyl-[[4-[[2-[(2-formylbenzoyl)-methylamino]ethyl-dimethylazaniumyl]methyl]phenyl]methyl]-dimethylazanium
CID 165403293
N-(5,6-dihydroxyhexyl)-2-formyl-N-methylbenzamide
CID 130371515
ethoxy-[5-[(2-formylbenzoyl)-methylamino]pentyl]-oxophosphanium
CID 170966342
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
N-[2-[bis[(4-methoxyphenyl)methyl]amino]sulfanylethyl]-2-formyl-N-methylbenzamide
CID 134558768
benzoic acid;N-benzyl-N-ethylethanamine
CID 86113086
N'-benzyl-N-[3-(diethylamino)propyl]-N'-methyloxamide
CID 108518765
3-[benzyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 62618687
2-formyl-N-[2-[2-(2-iodophosphanyloxyethoxy)ethoxy]ethyl]-N-methylbenzamide
CID 142462979
2-formyl-N-methyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 153346628
2-[benzyl(butyl)amino]benzaldehyde
CID 151381446

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide?
The IUPAC name of N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide (CID 139304498) is N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide.
What is the SMILES notation for N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide?
The canonical SMILES for N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide is CCN(CCCN(C)C(=O)c1ccccc1C=O)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide?
The InChIKey is MNWKBEXIKGDRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-23(16-18-10-5-4-6-11-18)15-9-14-22(2)21(25)20-13-8-7-12-19(20)17-24/h4-8,10-13,17H,3,9,14-16H2,1-2H3.
What are the key properties of N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide?
N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(ethyl)amino]propyl]-2-formyl-N-methylbenzamide is sourced from PubChem (CID 139304498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).