3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide

C14H22N2O — CID 110838222

IUPAC3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCNC(C)CC(=O)NCCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)7-8-16-14(17)10-12(2)15-3/h4-6,9,12,15H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyBLYHHGVBKWRWCG-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds6

About 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide

3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide (PubChem CID 110838222) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
PubChem CID110838222
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide
SMILESCNC(C)CC(=O)NCCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)7-8-16-14(17)10-12(2)15-3/h4-6,9,12,15H,7-8,10H2,1-3H3,(H,16,17)
InChIKeyBLYHHGVBKWRWCG-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646
(2S)-2-amino-3,3-dimethyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62315395
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
3-[2-(3-methylphenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108900811
2-bromo-N-[2-(3-methylphenyl)ethyl]butanamide
CID 62855844

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide?
The IUPAC name of 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide (CID 110838222) is 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide is CNC(C)CC(=O)NCCc1cccc(C)c1.
What is the InChIKey of 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide?
The InChIKey is BLYHHGVBKWRWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-5-4-6-13(9-11)7-8-16-14(17)10-12(2)15-3/h4-6,9,12,15H,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide?
3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide has a molecular weight of 234.34 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide is sourced from PubChem (CID 110838222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).