N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

C18H25NO3 — CID 111781995

IUPACN-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(CC(O)COCc1ccccc1)C(=O)C1C2CCCC21
InChIInChI=1S/C18H25NO3/c1-19(18(21)17-15-8-5-9-16(15)17)10-14(20)12-22-11-13-6-3-2-4-7-13/h2-4,6-7,14-17,20H,5,8-12H2,1H3
InChIKeyLPHYJAXRAAALHU-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.07
Rot. Bonds7

About N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide

N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 111781995) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
PubChem CID111781995
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
SMILESCN(CC(O)COCc1ccccc1)C(=O)C1C2CCCC21
InChIInChI=1S/C18H25NO3/c1-19(18(21)17-15-8-5-9-16(15)17)10-14(20)12-22-11-13-6-3-2-4-7-13/h2-4,6-7,14-17,20H,5,8-12H2,1H3
InChIKeyLPHYJAXRAAALHU-UHFFFAOYSA-N
XLogP2.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673100
(2R)-1-(dicyclohexylamino)-3-phenylmethoxypropan-2-ol
CID 798688
1-[1-cyclopropylethyl(methyl)amino]-3-phenylmethoxypropan-2-ol
CID 60724056
6-[(2-hydroxy-3-phenylmethoxypropyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119182403
N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylthiophene-3-carboxamide
CID 111781993
1-[methyl(propyl)amino]-3-phenylmethoxypropan-2-ol
CID 62064652
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2,5-trimethylfuran-3-carboxamide
CID 111595929
3-(2-chlorophenyl)-1-(2-hydroxy-3-phenylmethoxypropyl)-1-methylurea
CID 47079416
N-(2-hydroxy-3-phenylmethoxypropyl)-N,2-dimethylpyridine-3-carboxamide
CID 111595938
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methyl-1-oxidopyridin-1-ium-3-carboxamide
CID 111595977
2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)-N,4-dimethylbenzamide
CID 111781994
1-[methyl(prop-2-enyl)amino]-3-phenylmethoxypropan-2-ol
CID 111333519

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide (CID 111781995) is N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is CN(CC(O)COCc1ccccc1)C(=O)C1C2CCCC21.
What is the InChIKey of N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LPHYJAXRAAALHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-19(18(21)17-15-8-5-9-16(15)17)10-14(20)12-22-11-13-6-3-2-4-7-13/h2-4,6-7,14-17,20H,5,8-12H2,1H3.
What are the key properties of N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide?
N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 303.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylmethoxypropyl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 111781995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).