3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride

C21H28ClN3O2 — CID 119952064

IUPAC3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-4-24(20(26)13-18(22)17-11-6-5-7-12-17)14-19(25)23-21-15(2)9-8-10-16(21)3;/h5-12,18H,4,13-14,22H2,1-3H3,(H,23,25);1H
InChIKeySDLOROUWKGNFGD-UHFFFAOYSA-N
MW389.93 g/mol
LogP3.60
Rot. Bonds7

About 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride (PubChem CID 119952064) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
PubChem CID119952064
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride
SMILESCCN(CC(=O)Nc1c(C)cccc1C)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C21H27N3O2.ClH/c1-4-24(20(26)13-18(22)17-11-6-5-7-12-17)14-19(25)23-21-15(2)9-8-10-16(21)3;/h5-12,18H,4,13-14,22H2,1-3H3,(H,23,25);1H
InChIKeySDLOROUWKGNFGD-UHFFFAOYSA-N
XLogP3.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-3-phenylpropanamide
CID 43579107
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
3-amino-N-[(2,6-difluorophenyl)methyl]-N-ethyl-3-phenylpropanamide;hydrochloride
CID 119951050
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-hydroxy-2,2-diphenylacetamide
CID 167875350
N-(2,6-dimethylphenyl)-2-[[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 8793567
2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 119952764
CID 89442401
CID 89442401
3-amino-N-ethyl-N-methyl-3-phenylpropanamide
CID 43263469
2-[(4-amino-4-phenylbutanoyl)-ethylamino]acetic acid
CID 63324134
4-[(3-amino-3-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119948922

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride (CID 119952064) is 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride is CCN(CC(=O)Nc1c(C)cccc1C)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is SDLOROUWKGNFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.ClH/c1-4-24(20(26)13-18(22)17-11-6-5-7-12-17)14-19(25)23-21-15(2)9-8-10-16(21)3;/h5-12,18H,4,13-14,22H2,1-3H3,(H,23,25);1H.
What are the key properties of 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119952064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).