N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide

C15H27NO2 — CID 65114198

IUPACN-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCCCCC1
InChIInChI=1S/C15H27NO2/c17-14(13-8-4-1-2-5-9-13)16-12-15(18)10-6-3-7-11-15/h13,18H,1-12H2,(H,16,17)
InChIKeyKPMUYFIGTMOGKT-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.77
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide

N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide (PubChem CID 65114198) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
PubChem CID65114198
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCCCCC1
InChIInChI=1S/C15H27NO2/c17-14(13-8-4-1-2-5-9-13)16-12-15(18)10-6-3-7-11-15/h13,18H,1-12H2,(H,16,17)
InChIKeyKPMUYFIGTMOGKT-UHFFFAOYSA-N
XLogP2.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 111445220
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
N-[(1-aminocyclohexyl)methyl]cyclooctanecarboxamide
CID 119404631
N-[(1-aminocyclohexyl)methyl]cycloheptanecarboxamide
CID 119404597
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[4-[(1-hydroxycycloheptyl)methylamino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 111428746
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
N-[[(1S)-1-hydroxy-3,3-dimethylcyclohexyl]methyl]cyclobutanecarboxamide
CID 100650712
1-(2,2-dimethylpropanoyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445850
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide (CID 65114198) is N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide is O=C(NCC1(O)CCCCC1)C1CCCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide?
The InChIKey is KPMUYFIGTMOGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c17-14(13-8-4-1-2-5-9-13)16-12-15(18)10-6-3-7-11-15/h13,18H,1-12H2,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide?
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide has a molecular weight of 253.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide is sourced from PubChem (CID 65114198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).