N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide

C15H24N2O — CID 119760944

IUPACN-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCCc1ccc(CCNC(=O)C(C)CNC)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)9-10-17-15(18)12(2)11-16-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyLAGXAPUCTUEOAQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.76
Rot. Bonds7

About N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide

N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119760944) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119760944
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
SMILESCCc1ccc(CCNC(=O)C(C)CNC)cc1
InChIInChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)9-10-17-15(18)12(2)11-16-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyLAGXAPUCTUEOAQ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
CID 115140882
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202218
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119742387
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide (CID 119760944) is N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide is CCc1ccc(CCNC(=O)C(C)CNC)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is LAGXAPUCTUEOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-13-5-7-14(8-6-13)9-10-17-15(18)12(2)11-16-3/h5-8,12,16H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 248.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119760944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).