3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide

C13H20N2O3 — CID 119758174

IUPAC3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(OCCO)cc1
InChIInChI=1S/C13H20N2O3/c1-10(14)8-13(17)15-9-11-2-4-12(5-3-11)18-7-6-16/h2-5,10,16H,6-9,14H2,1H3,(H,15,17)
InChIKeyOEVLWHKPTJTNMI-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.41
Rot. Bonds7

About 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide

3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide (PubChem CID 119758174) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
PubChem CID119758174
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(OCCO)cc1
InChIInChI=1S/C13H20N2O3/c1-10(14)8-13(17)15-9-11-2-4-12(5-3-11)18-7-6-16/h2-5,10,16H,6-9,14H2,1H3,(H,15,17)
InChIKeyOEVLWHKPTJTNMI-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903
(2S)-2-amino-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-methylpentanamide
CID 119723292
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide (CID 119758174) is 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide is CC(N)CC(=O)NCc1ccc(OCCO)cc1.
What is the InChIKey of 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide?
The InChIKey is OEVLWHKPTJTNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(14)8-13(17)15-9-11-2-4-12(5-3-11)18-7-6-16/h2-5,10,16H,6-9,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide?
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide has a molecular weight of 252.31 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide is sourced from PubChem (CID 119758174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).