2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride

C14H22Cl2N2O — CID 119504580

IUPAC2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-16-9-10-17-13(18)14(2,3)11-5-7-12(15)8-6-11;/h5-8,16H,4,9-10H2,1-3H3,(H,17,18);1H
InChIKeyABLMLOMMAVXLBS-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.77
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride

2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride (PubChem CID 119504580) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
PubChem CID119504580
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC Name2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)(C)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-16-9-10-17-13(18)14(2,3)11-5-7-12(15)8-6-11;/h5-8,16H,4,9-10H2,1-3H3,(H,17,18);1H
InChIKeyABLMLOMMAVXLBS-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119509414
N-(2-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide
CID 119625738
4-[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]ethyl]benzoic acid
CID 119168896
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
2-(4-chlorophenyl)-N-(2-hydroxypropyl)-2-methylpropanamide
CID 110466162
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 119995339
2-(3,5-dichlorophenyl)-N-ethyl-2-methylpropanamide
CID 110487750
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-[2-(4-chloroanilino)ethyl]-2,2-dimethylpropanamide
CID 102485027
N-(2-acetamidoethyl)-2-methyl-2-phenylpropanamide
CID 110678562
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride (CID 119504580) is 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride is CCNCCNC(=O)C(C)(C)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
The InChIKey is ABLMLOMMAVXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-4-16-9-10-17-13(18)14(2,3)11-5-7-12(15)8-6-11;/h5-8,16H,4,9-10H2,1-3H3,(H,17,18);1H.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride?
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119504580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).