benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate

C19H25NO2 — CID 167144822

IUPACbenzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate
SMILESO=C(NC12CCCCC1[C@@H]1CC[C@H]2C1)OCc1ccccc1
InChIInChI=1S/C19H25NO2/c21-18(22-13-14-6-2-1-3-7-14)20-19-11-5-4-8-17(19)15-9-10-16(19)12-15/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,21)/t15-,16+,17?,19?/m1/s1
InChIKeyNKQFPXFPAOKDGC-INECWFNRSA-N
MW299.41 g/mol
LogP4.27
Rot. Bonds3

About benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate

benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate (PubChem CID 167144822) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate
PubChem CID167144822
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Namebenzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate
SMILESO=C(NC12CCCCC1[C@@H]1CC[C@H]2C1)OCc1ccccc1
InChIInChI=1S/C19H25NO2/c21-18(22-13-14-6-2-1-3-7-14)20-19-11-5-4-8-17(19)15-9-10-16(19)12-15/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,21)/t15-,16+,17?,19?/m1/s1
InChIKeyNKQFPXFPAOKDGC-INECWFNRSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 103670874
benzyl N-[(1S)-2-hydroxy-1-methylcyclopentyl]carbamate
CID 57287930
dimethyl (1S,2S,4S,5S)-2-(phenylmethoxycarbonylamino)bicyclo[2.1.1]hexane-2,5-dicarboxylate
CID 10617631
dimethyl 2-(phenylmethoxycarbonylamino)bicyclo[2.1.1]hexane-2,5-dicarboxylate
CID 59086257
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-(2-aminospiro[2.5]octan-6-yl)carbamate
CID 130138434
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 117045632
1-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 165465604
benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate
CID 11580159
benzyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate;hydrochloride
CID 134819032
benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
CID 59454089
1-(phenylmethoxycarbonylamino)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 69305582

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate?
The IUPAC name of benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate (CID 167144822) is benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate?
The canonical SMILES for benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate is O=C(NC12CCCCC1[C@@H]1CC[C@H]2C1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate?
The InChIKey is NKQFPXFPAOKDGC-INECWFNRSA-N. The full InChI is InChI=1S/C19H25NO2/c21-18(22-13-14-6-2-1-3-7-14)20-19-11-5-4-8-17(19)15-9-10-16(19)12-15/h1-3,6-7,15-17H,4-5,8-13H2,(H,20,21)/t15-,16+,17?,19?/m1/s1.
What are the key properties of benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate?
benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,8R)-2-tricyclo[6.2.1.02,7]undecanyl]carbamate is sourced from PubChem (CID 167144822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).