N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide

C15H24N2O2 — CID 54862887

IUPACN-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCCOc1cc(C)ccc1NC(=O)CCNC(C)C
InChIInChI=1S/C15H24N2O2/c1-5-19-14-10-12(4)6-7-13(14)17-15(18)8-9-16-11(2)3/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyISPFJHMRQSPLJW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds7

About N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide

N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide (PubChem CID 54862887) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
PubChem CID54862887
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide
SMILESCCOc1cc(C)ccc1NC(=O)CCNC(C)C
InChIInChI=1S/C15H24N2O2/c1-5-19-14-10-12(4)6-7-13(14)17-15(18)8-9-16-11(2)3/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18)
InChIKeyISPFJHMRQSPLJW-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
1-(2-ethoxy-4-methylphenyl)-3-(3-hydroxybutyl)urea
CID 111336863
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
4-[3-(2-ethoxy-4-methylanilino)-3-oxopropyl]benzoic acid
CID 119181144
(2R)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylbutanamide
CID 79013044
2-[1-(aminomethyl)cyclobutyl]-N-(2-ethoxy-4-methylphenyl)acetamide
CID 81173162
(2S)-2-amino-N-(2-ethoxy-4-methylphenyl)-3-methylpentanamide
CID 61173731
N-(4-ethoxy-3-fluorophenyl)-3-(propan-2-ylamino)propanamide
CID 115733830
N-(2-ethoxy-4-methylphenyl)-2-(3-methylphenoxy)acetamide
CID 87027069
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
1-(2-ethoxy-4-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111453119
3-(2-bromo-4-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039768

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide (CID 54862887) is N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide is CCOc1cc(C)ccc1NC(=O)CCNC(C)C.
What is the InChIKey of N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is ISPFJHMRQSPLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-19-14-10-12(4)6-7-13(14)17-15(18)8-9-16-11(2)3/h6-7,10-11,16H,5,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide?
N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 264.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-methylphenyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54862887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).