N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide

C16H21NO2 — CID 79600654

IUPACN-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(C1C2CCCC21)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H21NO2/c18-10-9-17(11-12-5-2-1-3-6-12)16(19)15-13-7-4-8-14(13)15/h1-3,5-6,13-15,18H,4,7-11H2
InChIKeyJWDSUGLTDJBOAN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.05
Rot. Bonds5

About N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide

N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79600654) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79600654
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(C1C2CCCC21)N(CCO)Cc1ccccc1
InChIInChI=1S/C16H21NO2/c18-10-9-17(11-12-5-2-1-3-6-12)16(19)15-13-7-4-8-14(13)15/h1-3,5-6,13-15,18H,4,7-11H2
InChIKeyJWDSUGLTDJBOAN-UHFFFAOYSA-N
XLogP2.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-N,N-bis(2-hydroxyethyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 11894536
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
CID 6964229
1-[benzyl(2-hydroxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62116197
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide
CID 87277751
3-[[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]-[(2,3-difluorophenyl)methyl]amino]propanoic acid
CID 124704203
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 54870816
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79600654) is N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(C1C2CCCC21)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is JWDSUGLTDJBOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-10-9-17(11-12-5-2-1-3-6-12)16(19)15-13-7-4-8-14(13)15/h1-3,5-6,13-15,18H,4,7-11H2.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79600654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).