3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride

C20H31ClN2O2 — CID 119749801

IUPAC3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CCCC(N)C2)CCOCC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15-5-2-3-8-18(15)20(9-11-24-12-10-20)14-22-19(23)16-6-4-7-17(21)13-16;/h2-3,5,8,16-17H,4,6-7,9-14,21H2,1H3,(H,22,23);1H
InChIKeyLXGXPEORFMXGFS-UHFFFAOYSA-N
MW366.93 g/mol
LogP3.10
Rot. Bonds4

About 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119749801) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119749801
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CCCC(N)C2)CCOCC1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-15-5-2-3-8-18(15)20(9-11-24-12-10-20)14-22-19(23)16-6-4-7-17(21)13-16;/h2-3,5,8,16-17H,4,6-7,9-14,21H2,1H3,(H,22,23);1H
InChIKeyLXGXPEORFMXGFS-UHFFFAOYSA-N
XLogP3.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749802
9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987365
3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119768583
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
2-methyl-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]oxane-3-carboxamide
CID 129000644
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86835660
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
3-amino-N-[[1-(2-bromophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119800146
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride (CID 119749801) is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride is Cc1ccccc1C1(CNC(=O)C2CCCC(N)C2)CCOCC1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LXGXPEORFMXGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-15-5-2-3-8-18(15)20(9-11-24-12-10-20)14-22-19(23)16-6-4-7-17(21)13-16;/h2-3,5,8,16-17H,4,6-7,9-14,21H2,1H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride?
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119749801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).