3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide

C14H22N2O2 — CID 80552105

IUPAC3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
SMILESCCN(CCO)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-16(9-10-17)14(18)11(2)13(15)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10,15H2,1-2H3
InChIKeyROUOSJVEFMXTKC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds6

About 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide

3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide (PubChem CID 80552105) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
PubChem CID80552105
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
SMILESCCN(CCO)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-3-16(9-10-17)14(18)11(2)13(15)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10,15H2,1-2H3
InChIKeyROUOSJVEFMXTKC-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
CID 119680720
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
CID 119741246
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide (CID 80552105) is 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide is CCN(CCO)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
The InChIKey is ROUOSJVEFMXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16(9-10-17)14(18)11(2)13(15)12-7-5-4-6-8-12/h4-8,11,13,17H,3,9-10,15H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide?
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80552105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).