N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide

C15H24N2O — CID 106910059

IUPACN-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide
SMILESCCNCc1ccc(NC(=O)CC(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-4-12(3)10-15(18)17-14-8-6-13(7-9-14)11-16-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyYXOFEXVUMPFKMA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.17
Rot. Bonds7

About N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide

N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide (PubChem CID 106910059) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide
PubChem CID106910059
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide
SMILESCCNCc1ccc(NC(=O)CC(C)CC)cc1
InChIInChI=1S/C15H24N2O/c1-4-12(3)10-15(18)17-14-8-6-13(7-9-14)11-16-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyYXOFEXVUMPFKMA-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-methylpentanoylamino)phenyl]propanoic acid
CID 114873832
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
N-[[4-(hydroxymethyl)phenyl]methyl]-3-methylpentanamide
CID 107231413
N-(3-fluoro-4-hydroxyphenyl)-3-methylpentanamide
CID 114875158
N-[3-(ethylaminomethyl)phenyl]-3-methylbutanamide
CID 43601133
4-ethoxy-N-[4-(ethylaminomethyl)phenyl]butanamide
CID 106910220
N-[(4-fluorophenyl)methyl]-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 5122377
3-amino-N-(4-ethylphenyl)butanamide;hydrochloride
CID 119674065
2-chloro-4-(3-methylpentanoylamino)benzoic acid
CID 114873676
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide?
The IUPAC name of N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide (CID 106910059) is N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide?
The canonical SMILES for N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide is CCNCc1ccc(NC(=O)CC(C)CC)cc1.
What is the InChIKey of N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide?
The InChIKey is YXOFEXVUMPFKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(3)10-15(18)17-14-8-6-13(7-9-14)11-16-5-2/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide?
N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide has a molecular weight of 248.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylaminomethyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 106910059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).