N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide

C14H22N2O — CID 143294633

IUPACN-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
SMILESCCCCN(C=O)CCc1ccccc1NC
InChIInChI=1S/C14H22N2O/c1-3-4-10-16(12-17)11-9-13-7-5-6-8-14(13)15-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyJSKAFILRVYOQGS-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.53
Rot. Bonds8

About N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide

N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide (PubChem CID 143294633) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
PubChem CID143294633
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
SMILESCCCCN(C=O)CCc1ccccc1NC
InChIInChI=1S/C14H22N2O/c1-3-4-10-16(12-17)11-9-13-7-5-6-8-14(13)15-2/h5-8,12,15H,3-4,9-11H2,1-2H3
InChIKeyJSKAFILRVYOQGS-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide?
The IUPAC name of N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide (CID 143294633) is N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide.
What is the SMILES notation for N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide?
The canonical SMILES for N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide is CCCCN(C=O)CCc1ccccc1NC.
What is the InChIKey of N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide?
The InChIKey is JSKAFILRVYOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-10-16(12-17)11-9-13-7-5-6-8-14(13)15-2/h5-8,12,15H,3-4,9-11H2,1-2H3.
What are the key properties of N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide?
N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide has a molecular weight of 234.34 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide is sourced from PubChem (CID 143294633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).