4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride

C21H28ClN3O2 — CID 120668279

IUPAC4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(N)c1ccc(C)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-5-24(21(26)19(22)17-10-6-15(2)7-11-17)14-16-8-12-18(13-9-16)20(25)23(3)4;/h6-13,19H,5,14,22H2,1-4H3;1H
InChIKeyXSRNAMPRCNBMEC-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.17
Rot. Bonds6

About 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride

4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 120668279) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID120668279
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(N)c1ccc(C)cc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-5-24(21(26)19(22)17-10-6-15(2)7-11-17)14-16-8-12-18(13-9-16)20(25)23(3)4;/h6-13,19H,5,14,22H2,1-4H3;1H
InChIKeyXSRNAMPRCNBMEC-UHFFFAOYSA-N
XLogP3.17
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-2-(4-methylphenyl)-N-prop-2-ynylacetamide
CID 114172115
2-amino-N-(cyclopropylmethyl)-N-ethyl-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668472
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
CID 66820082
2-amino-N-methyl-2-(4-methylphenyl)-N-pentan-3-ylacetamide
CID 114172087
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668393
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
N,N-dimethyl-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23912821
(2S)-2-amino-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethylpropanamide
CID 99703454
2-amino-N-methyl-2-(4-methylphenyl)-N-propylacetamide
CID 106151263
2-amino-N-butan-2-yl-N-ethyl-2-(4-methylphenyl)acetamide
CID 106312072
2-amino-N-methyl-N-(2-methylbutyl)-2-(4-methylphenyl)acetamide
CID 106151480

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride (CID 120668279) is 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(N)c1ccc(C)cc1.Cl.
What is the InChIKey of 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is XSRNAMPRCNBMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-5-24(21(26)19(22)17-10-6-15(2)7-11-17)14-16-8-12-18(13-9-16)20(25)23(3)4;/h6-13,19H,5,14,22H2,1-4H3;1H.
What are the key properties of 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride?
4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-2-(4-methylphenyl)acetyl]-ethylamino]methyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 120668279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).