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

C20H27ClN2O2 — CID 119439167

IUPACN-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CC(C)c1ccccc1OC.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-4-21-14-16-9-5-7-11-18(16)22-20(23)13-15(2)17-10-6-8-12-19(17)24-3;/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23);1H
InChIKeyYPCCSZYONCHKGP-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.36
Rot. Bonds8

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

N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119439167) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
PubChem CID119439167
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CC(C)c1ccccc1OC.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-4-21-14-16-9-5-7-11-18(16)22-20(23)13-15(2)17-10-6-8-12-19(17)24-3;/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23);1H
InChIKeyYPCCSZYONCHKGP-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-(3-methoxyphenyl)butanamide;hydrochloride
CID 119440333
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 119439282
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070
N-[2-(ethylaminomethyl)phenyl]-4-methyl-3-phenylpentanamide
CID 119438867
2-[2-(difluoromethoxy)phenyl]-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119439694
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825
2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440809
2-(4-ethoxyphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119439853
2-ethoxy-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 43601366
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]-4,4,4-trifluoro-3-phenylbutanamide;hydrochloride
CID 119439753
N-[2-(ethylaminomethyl)phenyl]-2-propan-2-ylsulfonylacetamide
CID 119438980

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride (CID 119439167) is N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride is CCNCc1ccccc1NC(=O)CC(C)c1ccccc1OC.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is YPCCSZYONCHKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-4-21-14-16-9-5-7-11-18(16)22-20(23)13-15(2)17-10-6-8-12-19(17)24-3;/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenyl)butanamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3-(2-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-(2-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119439167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).