N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide

C14H26N2O3 — CID 65119743

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2CNCCO2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2)3-5-14(18,6-4-13)10-16-12(17)11-9-15-7-8-19-11/h11,15,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyVXVYZIHDIAMXBX-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.42
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide (PubChem CID 65119743) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide
PubChem CID65119743
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2CNCCO2)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2)3-5-14(18,6-4-13)10-16-12(17)11-9-15-7-8-19-11/h11,15,18H,3-10H2,1-2H3,(H,16,17)
InChIKeyVXVYZIHDIAMXBX-UHFFFAOYSA-N
XLogP0.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]oxane-2-carboxamide
CID 65119023
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718
N-[(1-ethylcyclobutyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119782167
1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445861
(2R)-N-(azetidin-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 130702713
(2S)-N-(cyclobutylmethyl)morpholine-2-carboxamide;hydrochloride
CID 131065842
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119820394
N-[2-(cyclopropanecarbonylamino)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119687765
N-[(3-hydroxycyclopentyl)methyl]morpholine-2-carboxamide
CID 106134080
N-[(4-piperidin-1-yloxan-4-yl)methyl]morpholine-2-carboxamide
CID 119886734
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119731232
N-[(1-hydroxycyclopentyl)methyl]oxane-2-carboxamide
CID 65113697

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide (CID 65119743) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide is CC1(C)CCC(O)(CNC(=O)C2CNCCO2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide?
The InChIKey is VXVYZIHDIAMXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2)3-5-14(18,6-4-13)10-16-12(17)11-9-15-7-8-19-11/h11,15,18H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide has a molecular weight of 270.37 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 65119743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).