9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C23H35ClN2O2 — CID 120987365

IUPAC9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CC3CCCC(C2)C3N)CCOCC1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-16-5-2-3-8-20(16)23(9-11-27-12-10-23)15-25-22(26)19-13-17-6-4-7-18(14-19)21(17)24;/h2-3,5,8,17-19,21H,4,6-7,9-15,24H2,1H3,(H,25,26);1H
InChIKeyMBEXNLPHDFBJBE-UHFFFAOYSA-N
MW407.00 g/mol
LogP3.73
Rot. Bonds4

About 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120987365) has the molecular formula C23H35ClN2O2 and a molecular weight of 407.00 g/mol. Its IUPAC name is 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120987365
Molecular FormulaC23H35ClN2O2
Molecular Weight407.00 g/mol
Exact Mass406.24
IUPAC Name9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)C2CC3CCCC(C2)C3N)CCOCC1.Cl
InChIInChI=1S/C23H34N2O2.ClH/c1-16-5-2-3-8-20(16)23(9-11-27-12-10-23)15-25-22(26)19-13-17-6-4-7-18(14-19)21(17)24;/h2-3,5,8,17-19,21H,4,6-7,9-15,24H2,1H3,(H,25,26);1H
InChIKeyMBEXNLPHDFBJBE-UHFFFAOYSA-N
XLogP3.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.00
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119749801
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749802
9-amino-N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987145
(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
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86835660
9-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988823
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315824
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]cyclopropanecarboxamide
CID 27449334
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]butanamide
CID 119749830

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120987365) is 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cc1ccccc1C1(CNC(=O)C2CC3CCCC(C2)C3N)CCOCC1.Cl.
What is the InChIKey of 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is MBEXNLPHDFBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2.ClH/c1-16-5-2-3-8-20(16)23(9-11-27-12-10-23)15-25-22(26)19-13-17-6-4-7-18(14-19)21(17)24;/h2-3,5,8,17-19,21H,4,6-7,9-15,24H2,1H3,(H,25,26);1H.
What are the key properties of 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 407.00 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120987365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).