phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate

C14H14N2O2 — CID 78980082

IUPACphenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N2O2/c1-11(13-9-5-6-10-15-13)16-14(17)18-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWQIKMBFUCMMICW-NSHDSACASA-N
MW242.28 g/mol
LogP2.93
Rot. Bonds3

About phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate

phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate (PubChem CID 78980082) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
PubChem CID78980082
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namephenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)c1ccccn1
InChIInChI=1S/C14H14N2O2/c1-11(13-9-5-6-10-15-13)16-14(17)18-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKeyWQIKMBFUCMMICW-NSHDSACASA-N
XLogP2.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
2-hydroxyethyl N-[(1R)-1-pyridin-2-ylethyl]carbamate
CID 81406872
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-(4-benzoylphenoxy)-N-(1-pyridin-2-ylethyl)acetamide
CID 112758991
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407538
2-(4-phenylphenoxy)-N-(1-pyridin-2-ylethyl)propanamide
CID 46408411
2-bromo-2-methyl-N-(1-pyridin-2-ylethyl)propanamide
CID 114327632
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
3-methyl-5-oxo-5-[[(1S)-1-pyridin-2-ylethyl]amino]pentanoic acid
CID 81399842

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate?
The IUPAC name of phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate (CID 78980082) is phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate.
What is the SMILES notation for phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate?
The canonical SMILES for phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate is C[C@H](NC(=O)Oc1ccccc1)c1ccccn1.
What is the InChIKey of phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate?
The InChIKey is WQIKMBFUCMMICW-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11(13-9-5-6-10-15-13)16-14(17)18-12-7-3-2-4-8-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate?
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate has a molecular weight of 242.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate is sourced from PubChem (CID 78980082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).