N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C15H24Cl2N2O — CID 119774350

IUPACN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)(C)Cc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-11(10-17-4)14(19)18-15(2,3)9-12-7-5-6-8-13(12)16;/h5-8,11,17H,9-10H2,1-4H3,(H,18,19);1H
InChIKeyDQRHYJNOQPDVCS-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.05
Rot. Bonds6

About N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119774350) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119774350
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)(C)Cc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-11(10-17-4)14(19)18-15(2,3)9-12-7-5-6-8-13(12)16;/h5-8,11,17H,9-10H2,1-4H3,(H,18,19);1H
InChIKeyDQRHYJNOQPDVCS-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-2-(2-chlorophenyl)-1-phenylethyl]-2-methyl-3-(methylamino)propanamide
CID 99815635
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-butan-2-yl-1-(2-chlorophenyl)-2-methylpropan-2-amine
CID 115920215
2-chloro-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
CID 119703576
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119318158
3-amino-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119774339
N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 119769462
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
CID 138034370
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119774350) is N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)(C)Cc1ccccc1Cl.Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is DQRHYJNOQPDVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-11(10-17-4)14(19)18-15(2,3)9-12-7-5-6-8-13(12)16;/h5-8,11,17H,9-10H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119774350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).