3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride

C20H27ClN2O — CID 119439013

IUPAC3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCc1ccc(C)cc1C.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-4-21-14-18-7-5-6-8-19(18)22-20(23)12-11-17-10-9-15(2)13-16(17)3;/h5-10,13,21H,4,11-12,14H2,1-3H3,(H,22,23);1H
InChIKeyMYQXQZCPVOPFSW-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.41
Rot. Bonds7

About 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride

3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (PubChem CID 119439013) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
PubChem CID119439013
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCc1ccc(C)cc1C.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-4-21-14-18-7-5-6-8-19(18)22-20(23)12-11-17-10-9-15(2)13-16(17)3;/h5-10,13,21H,4,11-12,14H2,1-3H3,(H,22,23);1H
InChIKeyMYQXQZCPVOPFSW-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
N-[2-(ethylaminomethyl)phenyl]-3-(3-methylphenoxy)propanamide
CID 119439844
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440366
2-(2,5-dimethylphenoxy)-N-[2-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119440106
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
N-[2-(ethylaminomethyl)phenyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119440825
N-(2-aminoethyl)-2-[3-(2,4-dimethylphenyl)propanoylamino]benzamide;hydrochloride
CID 120604204
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 24681693
2-(2,4-dimethylphenyl)-N-(2-methylphenyl)acetamide
CID 100747569
N-[2-(ethylaminomethyl)phenyl]nonanamide
CID 65425982
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119438931
N-[2-(ethylaminomethyl)phenyl]pent-4-ynamide
CID 114028604

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride (CID 119439013) is 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is CCNCc1ccccc1NC(=O)CCc1ccc(C)cc1C.Cl.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
The InChIKey is MYQXQZCPVOPFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-4-21-14-18-7-5-6-8-19(18)22-20(23)12-11-17-10-9-15(2)13-16(17)3;/h5-10,13,21H,4,11-12,14H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride?
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119439013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).