2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride

C16H26Cl2N2O — CID 119431156

IUPAC2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCCCNC)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-4-16(5-2,13-7-9-14(17)10-8-13)15(20)19-12-6-11-18-3;/h7-10,18H,4-6,11-12H2,1-3H3,(H,19,20);1H
InChIKeyVEDBTIOENCEBAP-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.55
Rot. Bonds8

About 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride

2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride (PubChem CID 119431156) has the molecular formula C16H26Cl2N2O and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride
PubChem CID119431156
Molecular FormulaC16H26Cl2N2O
Molecular Weight333.30 g/mol
Exact Mass332.14
IUPAC Name2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride
SMILESCCC(CC)(C(=O)NCCCNC)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H25ClN2O.ClH/c1-4-16(5-2,13-7-9-14(17)10-8-13)15(20)19-12-6-11-18-3;/h7-10,18H,4-6,11-12H2,1-3H3,(H,19,20);1H
InChIKeyVEDBTIOENCEBAP-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.55
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

N-(3-aminopropyl)-2-(3,4-dichlorophenyl)-2-ethylbutanamide
CID 119406849
N-(3-amino-2-methylpropyl)-2-(4-chlorophenyl)-2-ethylbutanamide
CID 119996737
2-(4-chlorophenyl)-2-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120890396
(2S)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119238087
(2R)-2-[[2-(4-chlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119244030
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]-4-oxobutanamide;hydrochloride
CID 119432701
3-(4-chlorophenyl)sulfanyl-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431353
3-[[2-(3,4-dichlorophenyl)-2-ethylbutanoyl]amino]propanoic acid
CID 119351201
2-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119504580
4-(4-chlorophenyl)-N-[3-(methylamino)propyl]butanamide
CID 174351347
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride (CID 119431156) is 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride is CCC(CC)(C(=O)NCCCNC)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride?
The InChIKey is VEDBTIOENCEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O.ClH/c1-4-16(5-2,13-7-9-14(17)10-8-13)15(20)19-12-6-11-18-3;/h7-10,18H,4-6,11-12H2,1-3H3,(H,19,20);1H.
What are the key properties of 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride?
2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride has a molecular weight of 333.30 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-ethyl-N-[3-(methylamino)propyl]butanamide;hydrochloride is sourced from PubChem (CID 119431156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).