4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride

C15H25ClN2O2 — CID 120587047

IUPAC4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)CC(CN)OC)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-12-5-7-13(8-6-12)11(2)17-15(18)9-14(10-16)19-3;/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18);1H
InChIKeyQWVFPCWLDPNTPH-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.21
Rot. Bonds7

About 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride (PubChem CID 120587047) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
PubChem CID120587047
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride
SMILESCCc1ccc(C(C)NC(=O)CC(CN)OC)cc1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-4-12-5-7-13(8-6-12)11(2)17-15(18)9-14(10-16)19-3;/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18);1H
InChIKeyQWVFPCWLDPNTPH-UHFFFAOYSA-N
XLogP2.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[1-(4-bromophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120590463
4-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-methoxybutanamide
CID 120589757
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
4-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxybutanamide;hydrochloride
CID 120587021
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
N-[1-(4-ethylphenyl)ethyl]-3,3-diphenylpropanamide
CID 17326867
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587323
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
2-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxypropanamide
CID 81083669
4-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-3-methoxybutanamide
CID 120587324

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride (CID 120587047) is 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride is CCc1ccc(C(C)NC(=O)CC(CN)OC)cc1.Cl.
What is the InChIKey of 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
The InChIKey is QWVFPCWLDPNTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-4-12-5-7-13(8-6-12)11(2)17-15(18)9-14(10-16)19-3;/h5-8,11,14H,4,9-10,16H2,1-3H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-ethylphenyl)ethyl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).