N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide

C14H22N2O2 — CID 115152025

IUPACN-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
SMILESCCOc1ccc(CCNC(=O)CNC)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-18-13-6-5-12(9-11(13)2)7-8-16-14(17)10-15-3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyXSXZXJSFOZUZLD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.27
Rot. Bonds7

About N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide

N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide (PubChem CID 115152025) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
PubChem CID115152025
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide
SMILESCCOc1ccc(CCNC(=O)CNC)cc1C
InChIInChI=1S/C14H22N2O2/c1-4-18-13-6-5-12(9-11(13)2)7-8-16-14(17)10-15-3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyXSXZXJSFOZUZLD-UHFFFAOYSA-N
XLogP1.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
3-amino-N-[2-(4-ethoxy-3-methylphenyl)ethyl]butanamide
CID 115154337
1-tert-butyl-3-[2-(4-ethoxy-3-methylphenyl)ethyl]urea
CID 110775842
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
4-[2-(4-ethoxy-3-methylphenyl)ethylamino]butan-2-one
CID 115235921
N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46612313
N-[2-(2-ethoxyphenyl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119772879
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
N-[2-(4-ethoxy-3-fluorophenyl)ethyl]-2-sulfanylacetamide
CID 115167384

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide (CID 115152025) is N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide is CCOc1ccc(CCNC(=O)CNC)cc1C.
What is the InChIKey of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide?
The InChIKey is XSXZXJSFOZUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-18-13-6-5-12(9-11(13)2)7-8-16-14(17)10-15-3/h5-6,9,15H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide?
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide has a molecular weight of 250.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methylphenyl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 115152025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).