N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride

C20H27ClN2O2 — CID 119440333

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CC(C)c1cccc(OC)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-4-21-14-17-8-5-6-11-19(17)22-20(23)12-15(2)16-9-7-10-18(13-16)24-3;/h5-11,13,15,21H,4,12,14H2,1-3H3,(H,22,23);1H
InChIKeyHQKXFMDOEKQLMH-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.36
Rot. Bonds8

About N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119440333) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
PubChem CID119440333
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CC(C)c1cccc(OC)c1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-4-21-14-17-8-5-6-11-19(17)22-20(23)12-15(2)16-9-7-10-18(13-16)24-3;/h5-11,13,15,21H,4,12,14H2,1-3H3,(H,22,23);1H
InChIKeyHQKXFMDOEKQLMH-UHFFFAOYSA-N
XLogP4.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119439167
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119439753
N-[2-(ethylaminomethyl)phenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119439857
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(3-methoxyphenyl)butanamide;hydrochloride
CID 120882209
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
2-[2-fluoro-4-[3-(3-methoxyphenyl)butanoylamino]phenyl]acetic acid
CID 122109779
N-[2-(ethylaminomethyl)phenyl]-2-methylsulfonylacetamide;hydrochloride
CID 119440105
N-(1-hydroxypentan-3-yl)-3-(3-methoxyphenyl)butanamide
CID 109479061
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride (CID 119440333) is N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride is CCNCc1ccccc1NC(=O)CC(C)c1cccc(OC)c1.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is HQKXFMDOEKQLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-4-21-14-17-8-5-6-11-19(17)22-20(23)12-15(2)16-9-7-10-18(13-16)24-3;/h5-11,13,15,21H,4,12,14H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3-(3-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119440333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).