2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide

C15H24N2O — CID 43507752

IUPAC2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C15H24N2O/c1-5-7-11(2)15(18)17-14-9-6-8-13(10-14)12(3)16-4/h6,8-12,16H,5,7H2,1-4H3,(H,17,18)
InChIKeyMLHXXWNXMAIBNT-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.34
Rot. Bonds6

About 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide (PubChem CID 43507752) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
PubChem CID43507752
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
SMILESCCCC(C)C(=O)Nc1cccc(C(C)NC)c1
InChIInChI=1S/C15H24N2O/c1-5-7-11(2)15(18)17-14-9-6-8-13(10-14)12(3)16-4/h6,8-12,16H,5,7H2,1-4H3,(H,17,18)
InChIKeyMLHXXWNXMAIBNT-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507778
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
2-methyl-N-phenylpentanamide
CID 4627801
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43507750
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
ethyl 3-[[(2S)-2-methylpentanoyl]amino]benzoate
CID 670808

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide?
The IUPAC name of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide (CID 43507752) is 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide?
The canonical SMILES for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide is CCCC(C)C(=O)Nc1cccc(C(C)NC)c1.
What is the InChIKey of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide?
The InChIKey is MLHXXWNXMAIBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-7-11(2)15(18)17-14-9-6-8-13(10-14)12(3)16-4/h6,8-12,16H,5,7H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide?
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide has a molecular weight of 248.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide is sourced from PubChem (CID 43507752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).