4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide

C13H19ClN2O3 — CID 120588649

IUPAC4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-19-11(7-15)6-13(18)16-8-12(17)9-2-4-10(14)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)
InChIKeyFZNSWIZXMBUWOX-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.85
Rot. Bonds7

About 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide

4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide (PubChem CID 120588649) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
PubChem CID120588649
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c1-19-11(7-15)6-13(18)16-8-12(17)9-2-4-10(14)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)
InChIKeyFZNSWIZXMBUWOX-UHFFFAOYSA-N
XLogP0.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]-3-methoxybutanamide
CID 120588902
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-ethoxyacetamide
CID 110885506
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 42883568
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 110663484
(3R)-3-acetamido-3-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 52516198
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
N-[2-(4-chlorophenyl)-2-hydroxyethyl]nonanamide
CID 86076853
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
CID 110931236
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methoxybutanamide
CID 120596278
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-[bis(4-chlorophenyl)methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120593768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide (CID 120588649) is 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide?
The InChIKey is FZNSWIZXMBUWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-19-11(7-15)6-13(18)16-8-12(17)9-2-4-10(14)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide?
4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide has a molecular weight of 286.76 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-methoxybutanamide is sourced from PubChem (CID 120588649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).