ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide

C18H35NO2 — CID 90789963

IUPACethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
SMILESC=O.CC.CC1(CNC(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C15H27NO.C2H6.CH2O/c1-15(10-6-3-7-11-15)12-16-14(17)13-8-4-2-5-9-13;2*1-2/h13H,2-12H2,1H3,(H,16,17);1-2H3;1H2
InChIKeyMSLQOCABLAZKOB-UHFFFAOYSA-N
MW297.48 g/mol
LogP4.49
Rot. Bonds3

About ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide

ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide (PubChem CID 90789963) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound Nameethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
PubChem CID90789963
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC Nameethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
SMILESC=O.CC.CC1(CNC(=O)C2CCCCC2)CCCCC1
InChIInChI=1S/C15H27NO.C2H6.CH2O/c1-15(10-6-3-7-11-15)12-16-14(17)13-8-4-2-5-9-13;2*1-2/h13H,2-12H2,1H3,(H,16,17);1-2H3;1H2
InChIKeyMSLQOCABLAZKOB-UHFFFAOYSA-N
XLogP4.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide
CID 91660383
N-[(4-methylpiperidin-4-yl)methyl]cycloheptanecarboxamide;hydrochloride
CID 91660382
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
N-[(1-methylcycloheptyl)methyl]acetamide
CID 127751208
2-amino-N-[(1-methylcyclohexyl)methyl]cyclopentane-1-carboxamide
CID 103812983

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide?
The IUPAC name of ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide (CID 90789963) is ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide?
The canonical SMILES for ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide is C=O.CC.CC1(CNC(=O)C2CCCCC2)CCCCC1.
What is the InChIKey of ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide?
The InChIKey is MSLQOCABLAZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO.C2H6.CH2O/c1-15(10-6-3-7-11-15)12-16-14(17)13-8-4-2-5-9-13;2*1-2/h13H,2-12H2,1H3,(H,16,17);1-2H3;1H2.
What are the key properties of ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide?
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide has a molecular weight of 297.48 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 90789963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).