phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate

C16H21NO2 — CID 98080564

IUPACphenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H21NO2/c1-11(15-10-12-7-8-13(15)9-12)17-16(18)19-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H,17,18)/t11-,12+,13+,15-/m0/s1
InChIKeyAAIVFUYGVXPNAU-JLNYLFASSA-N
MW259.35 g/mol
LogP3.60
Rot. Bonds3

About phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate

phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate (PubChem CID 98080564) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
PubChem CID98080564
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Namephenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C16H21NO2/c1-11(15-10-12-7-8-13(15)9-12)17-16(18)19-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H,17,18)/t11-,12+,13+,15-/m0/s1
InChIKeyAAIVFUYGVXPNAU-JLNYLFASSA-N
XLogP3.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
(E)-N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylprop-2-enamide
CID 98510446
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-iodobenzamide
CID 98288356
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696
ethyl N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98277095
4-benzamido-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzamide
CID 46561078
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
CID 108508984
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate?
The IUPAC name of phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate (CID 98080564) is phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate.
What is the SMILES notation for phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate?
The canonical SMILES for phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate is C[C@H](NC(=O)Oc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate?
The InChIKey is AAIVFUYGVXPNAU-JLNYLFASSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(15-10-12-7-8-13(15)9-12)17-16(18)19-14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H,17,18)/t11-,12+,13+,15-/m0/s1.
What are the key properties of phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate?
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate is sourced from PubChem (CID 98080564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).