tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate

C19H24N2O2 — CID 143478940

IUPACtert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate
SMILESCc1cc([C@@H](C)NC(=O)OC(C)(C)C)ccc1-c1ccncc1
InChIInChI=1S/C19H24N2O2/c1-13-12-16(14(2)21-18(22)23-19(3,4)5)6-7-17(13)15-8-10-20-11-9-15/h6-12,14H,1-5H3,(H,21,22)/t14-/m1/s1
InChIKeyKBJXUXPFLSRQGE-CQSZACIVSA-N
MW312.41 g/mol
LogP4.64
Rot. Bonds3

About tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate

tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate (PubChem CID 143478940) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate
PubChem CID143478940
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Nametert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate
SMILESCc1cc([C@@H](C)NC(=O)OC(C)(C)C)ccc1-c1ccncc1
InChIInChI=1S/C19H24N2O2/c1-13-12-16(14(2)21-18(22)23-19(3,4)5)6-7-17(13)15-8-10-20-11-9-15/h6-12,14H,1-5H3,(H,21,22)/t14-/m1/s1
InChIKeyKBJXUXPFLSRQGE-CQSZACIVSA-N
XLogP4.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
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tert-butyl N-[(1S)-1-[4-(2,5-difluoro-4-hydroxyphenyl)phenyl]ethyl]carbamate
CID 178085901
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
tert-butyl N-[(1S)-1-(4-bromo-3-fluorophenyl)ethyl]carbamate
CID 86730150
tert-butyl N-[1-(3-acetamidophenyl)ethyl]carbamate
CID 63788679
tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate;sulfane
CID 158971973
tert-butyl N-[(1S)-1-[4-(1-ethoxyisoquinoline-5-carbonyl)-3-methylphenyl]ethyl]carbamate
CID 140785568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate (CID 143478940) is tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate is Cc1cc([C@@H](C)NC(=O)OC(C)(C)C)ccc1-c1ccncc1.
What is the InChIKey of tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate?
The InChIKey is KBJXUXPFLSRQGE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-12-16(14(2)21-18(22)23-19(3,4)5)6-7-17(13)15-8-10-20-11-9-15/h6-12,14H,1-5H3,(H,21,22)/t14-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate?
tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate has a molecular weight of 312.41 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-(3-methyl-4-pyridin-4-ylphenyl)ethyl]carbamate is sourced from PubChem (CID 143478940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).