N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide

C18H30N2O2 — CID 119812335

IUPACN-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
SMILESCCOc1ccccc1C(CC(C)C)NC(=O)C(C)CNC
InChIInChI=1S/C18H30N2O2/c1-6-22-17-10-8-7-9-15(17)16(11-13(2)3)20-18(21)14(4)12-19-5/h7-10,13-14,16,19H,6,11-12H2,1-5H3,(H,20,21)
InChIKeyZWUYRIRGFQJPHN-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.14
Rot. Bonds9

About N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide

N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119812335) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119812335
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
SMILESCCOc1ccccc1C(CC(C)C)NC(=O)C(C)CNC
InChIInChI=1S/C18H30N2O2/c1-6-22-17-10-8-7-9-15(17)16(11-13(2)3)20-18(21)14(4)12-19-5/h7-10,13-14,16,19H,6,11-12H2,1-5H3,(H,20,21)
InChIKeyZWUYRIRGFQJPHN-UHFFFAOYSA-N
XLogP3.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
N-[2-(2-ethoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119772890
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
CID 120563941
N-[1-(2-ethoxyphenyl)-3-methylbutyl]morpholine-2-carboxamide
CID 119812339
1-(2-ethoxyphenyl)-3-methylbutan-1-ol
CID 62802877
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119721382
3-acetamido-3-(2-ethoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120830987
3-[[3-acetamido-3-(2-ethoxyphenyl)propanoyl]amino]-2-methylpropanoic acid
CID 119237711
N-[2-(2-fluorophenoxy)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119735718

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide (CID 119812335) is N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide is CCOc1ccccc1C(CC(C)C)NC(=O)C(C)CNC.
What is the InChIKey of N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is ZWUYRIRGFQJPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-6-22-17-10-8-7-9-15(17)16(11-13(2)3)20-18(21)14(4)12-19-5/h7-10,13-14,16,19H,6,11-12H2,1-5H3,(H,20,21).
What are the key properties of N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide?
N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 306.45 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119812335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).