N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide

C14H20N2O3 — CID 56819418

IUPACN-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccc(CCC(=O)N(C)CC(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-19-12-7-4-11(5-8-12)6-9-14(18)16(2)10-13(15)17/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,17)
InChIKeyWTOWPZJNGJAOTM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.96
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide

N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide (PubChem CID 56819418) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
PubChem CID56819418
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide
SMILESCCOc1ccc(CCC(=O)N(C)CC(N)=O)cc1
InChIInChI=1S/C14H20N2O3/c1-3-19-12-7-4-11(5-8-12)6-9-14(18)16(2)10-13(15)17/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,17)
InChIKeyWTOWPZJNGJAOTM-UHFFFAOYSA-N
XLogP0.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenyl)propanamide;hydrochloride
CID 172679140
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
CID 43373935
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
5-(4-ethoxyphenyl)-N-methylpentanehydrazide
CID 116845228
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-(2-amino-2-oxoethyl)-2-(4-butylphenyl)-N-methylacetamide
CID 56813078
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
4-(4-ethoxyphenyl)-1,1,1-trifluorobutan-2-one
CID 59202399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide (CID 56819418) is N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide is CCOc1ccc(CCC(=O)N(C)CC(N)=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide?
The InChIKey is WTOWPZJNGJAOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-12-7-4-11(5-8-12)6-9-14(18)16(2)10-13(15)17/h4-5,7-8H,3,6,9-10H2,1-2H3,(H2,15,17).
What are the key properties of N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide?
N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide has a molecular weight of 264.32 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-(4-ethoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 56819418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).