N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride

C18H28Cl2N2O2 — CID 119656558

IUPACN-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1(c2cccc(Cl)c2)CCOCC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-17(2,12-20)13-21(3)16(22)18(7-9-23-10-8-18)14-5-4-6-15(19)11-14;/h4-6,11H,7-10,12-13,20H2,1-3H3;1H
InChIKeyQHSLMLDRIJCEIF-UHFFFAOYSA-N
MW375.34 g/mol
LogP3.25
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride (PubChem CID 119656558) has the molecular formula C18H28Cl2N2O2 and a molecular weight of 375.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride
PubChem CID119656558
Molecular FormulaC18H28Cl2N2O2
Molecular Weight375.34 g/mol
Exact Mass374.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)C1(c2cccc(Cl)c2)CCOCC1.Cl
InChIInChI=1S/C18H27ClN2O2.ClH/c1-17(2,12-20)13-21(3)16(22)18(7-9-23-10-8-18)14-5-4-6-15(19)11-14;/h4-6,11H,7-10,12-13,20H2,1-3H3;1H
InChIKeyQHSLMLDRIJCEIF-UHFFFAOYSA-N
XLogP3.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylcyclobutane-1-carboxamide
CID 119653882
N-[2-(2-bromoanilino)-2-oxoethyl]-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide
CID 55997964
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
N-(3-amino-2,2-dimethylpropyl)-1-(3-methoxy-4-methylphenyl)-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119654019
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918657
N-[(2,3-dichlorophenyl)methyl]-N-methyl-4-phenyloxane-4-carboxamide
CID 39913975
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
4-(4-chlorophenyl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 134787709
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]-methylamino]methyl]benzamide
CID 55920544
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006156
[4-(3-chlorophenyl)oxan-4-yl]-[(3S)-3-methyl-3-propylpiperidin-1-yl]methanone
CID 95782823

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride (CID 119656558) is N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)C1(c2cccc(Cl)c2)CCOCC1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride?
The InChIKey is QHSLMLDRIJCEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2.ClH/c1-17(2,12-20)13-21(3)16(22)18(7-9-23-10-8-18)14-5-4-6-15(19)11-14;/h4-6,11H,7-10,12-13,20H2,1-3H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride has a molecular weight of 375.34 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-4-(3-chlorophenyl)-N-methyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 119656558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).