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

C20H30N2O2 — CID 119749802

IUPAC3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2CCCC(N)C2)CCOCC1
InChIInChI=1S/C20H30N2O2/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)
InChIKeyFFVHRNAIWYTOPU-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.68
Rot. Bonds4

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

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 119749802) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
PubChem CID119749802
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide
SMILESCc1ccccc1C1(CNC(=O)C2CCCC(N)C2)CCOCC1
InChIInChI=1S/C20H30N2O2/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)
InChIKeyFFVHRNAIWYTOPU-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119749801
9-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987365
(1S)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94626737
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
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
cis-(1S,3R)-3-amino-N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 124687340

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide (CID 119749802) is 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide is Cc1ccccc1C1(CNC(=O)C2CCCC(N)C2)CCOCC1.
What is the InChIKey of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is FFVHRNAIWYTOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/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).
What are the key properties of 3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 2.68, 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 is sourced from PubChem (CID 119749802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).