2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide

C12H18N2O3 — CID 174632451

IUPAC2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide
SMILESCC(OCCO)C(N)C(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-9(17-8-7-15)11(13)12(16)14-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)
InChIKeyNASIXQWYPLVZDW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.35
Rot. Bonds6

About 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide

2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide (PubChem CID 174632451) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide.

Molecular Properties

Compound Name2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide
PubChem CID174632451
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide
SMILESCC(OCCO)C(N)C(=O)Nc1ccccc1
InChIInChI=1S/C12H18N2O3/c1-9(17-8-7-15)11(13)12(16)14-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16)
InChIKeyNASIXQWYPLVZDW-UHFFFAOYSA-N
XLogP0.35
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-phenylbutanamide;hydrochloride
CID 53409039
(2R)-2-amino-N-phenylpropanamide
CID 10607114
4-[[(2S,3R)-2-amino-3-prop-2-enoxybutanoyl]amino]benzoic acid
CID 90349208
4-[(2-amino-3-methylpentanoyl)amino]-N-phenylbenzamide;hydrochloride
CID 119756450
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
2-[2-(2-aminophenyl)ethoxy]-N-phenylpropanamide
CID 102902653
2-(2-amino-2-methylpropoxy)-N-phenylpropanamide
CID 64536975
N-phenyl-2-[2-(propan-2-ylamino)ethoxy]propanamide
CID 62343791
ethyl 4-anilino-3-methyl-4-oxobutanoate
CID 10633516
2-(2-hydroxyethylsulfonyl)-N-phenylpropanamide
CID 82181671
2-amino-2-cyano-N-phenylacetamide
CID 53416420

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide?
The IUPAC name of 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide (CID 174632451) is 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide.
What is the SMILES notation for 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide?
The canonical SMILES for 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide is CC(OCCO)C(N)C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide?
The InChIKey is NASIXQWYPLVZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(17-8-7-15)11(13)12(16)14-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8,13H2,1H3,(H,14,16).
What are the key properties of 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide?
2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide has a molecular weight of 238.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-hydroxyethoxy)-N-phenylbutanamide is sourced from PubChem (CID 174632451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).