3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H27ClN2O — CID 119716655

IUPAC3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-13-10-11-18(14(2)12-13)16(4)22-20(23)15(3)19(21)17-8-6-5-7-9-17;/h5-12,15-16,19H,21H2,1-4H3,(H,22,23);1H
InChIKeyBUDXUNPBGYZJAL-UHFFFAOYSA-N
MW346.90 g/mol
LogP4.24
Rot. Bonds5

About 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119716655) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119716655
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)c(C)c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-13-10-11-18(14(2)12-13)16(4)22-20(23)15(3)19(21)17-8-6-5-7-9-17;/h5-12,15-16,19H,21H2,1-4H3,(H,22,23);1H
InChIKeyBUDXUNPBGYZJAL-UHFFFAOYSA-N
XLogP4.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716665
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932
2-amino-N-[1-(2,4-dimethylphenyl)ethyl]butanediamide
CID 54862017
3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
3-amino-2-methyl-3-phenyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide;dihydrochloride
CID 119863805
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119716655) is 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is Cc1ccc(C(C)NC(=O)C(C)C(N)c2ccccc2)c(C)c1.Cl.
What is the InChIKey of 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is BUDXUNPBGYZJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-13-10-11-18(14(2)12-13)16(4)22-20(23)15(3)19(21)17-8-6-5-7-9-17;/h5-12,15-16,19H,21H2,1-4H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119716655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).