N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide

C14H23NO2 — CID 106000950

IUPACN-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCC1CCCCO1)C1CC2CC2C1
InChIInChI=1S/C14H23NO2/c16-14(12-8-10-7-11(10)9-12)15-5-4-13-3-1-2-6-17-13/h10-13H,1-9H2,(H,15,16)
InChIKeyZYERFGDKJCISRC-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106000950) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106000950
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(NCCC1CCCCO1)C1CC2CC2C1
InChIInChI=1S/C14H23NO2/c16-14(12-8-10-7-11(10)9-12)15-5-4-13-3-1-2-6-17-13/h10-13H,1-9H2,(H,15,16)
InChIKeyZYERFGDKJCISRC-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782308
3-amino-N-[2-(oxolan-2-yl)ethyl]cyclopentane-1-carboxamide
CID 66008154
1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
4-methyl-N-[2-(oxan-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 114136026
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
N-[2-(oxolan-2-yl)ethyl]piperidine-2-carboxamide
CID 61038739
N-[2-(oxolan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469180
3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 106000870
1-[(2-hydroxycyclohexyl)methyl]-3-[2-(oxan-2-yl)ethyl]urea
CID 110025016
9-amino-N-[2-(oxan-2-ylmethylsulfamoyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989604
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 106000950) is N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide is O=C(NCCC1CCCCO1)C1CC2CC2C1.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is ZYERFGDKJCISRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c16-14(12-8-10-7-11(10)9-12)15-5-4-13-3-1-2-6-17-13/h10-13H,1-9H2,(H,15,16).
What are the key properties of N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106000950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).