N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide

C14H25NO3 — CID 65123536

IUPACN-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)C1CCCCO1
InChIInChI=1S/C14H25NO3/c16-13(12-7-3-6-10-18-12)15-11-14(17)8-4-1-2-5-9-14/h12,17H,1-11H2,(H,15,16)
InChIKeyWGSYXQXXLSHHSD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.76
Rot. Bonds3

About N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide

N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide (PubChem CID 65123536) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
PubChem CID65123536
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide
SMILESO=C(NCC1(O)CCCCCC1)C1CCCCO1
InChIInChI=1S/C14H25NO3/c16-13(12-7-3-6-10-18-12)15-11-14(17)8-4-1-2-5-9-14/h12,17H,1-11H2,(H,15,16)
InChIKeyWGSYXQXXLSHHSD-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
N-[(3-hydroxypyrrolidin-3-yl)methyl]oxane-2-carboxamide
CID 114760680
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(2-amino-2-sulfanylideneethyl)oxane-2-carboxamide
CID 62212636
N-(1-cyanocyclohexyl)oxane-2-carboxamide
CID 62213888

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide (CID 65123536) is N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide is O=C(NCC1(O)CCCCCC1)C1CCCCO1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide?
The InChIKey is WGSYXQXXLSHHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-13(12-7-3-6-10-18-12)15-11-14(17)8-4-1-2-5-9-14/h12,17H,1-11H2,(H,15,16).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 65123536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).