[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid

C18H22N2O3 — CID 67666328

IUPAC[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid
SMILESCCc1cc(C(CNC(=O)O)c2ccccc2)c(OC)nc1C
InChIInChI=1S/C18H22N2O3/c1-4-13-10-15(17(23-3)20-12(13)2)16(11-19-18(21)22)14-8-6-5-7-9-14/h5-10,16,19H,4,11H2,1-3H3,(H,21,22)
InChIKeyKXBPGGHLKWZPHQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.36
Rot. Bonds6

About [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid

[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid (PubChem CID 67666328) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid.

Molecular Properties

Compound Name[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid
PubChem CID67666328
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid
SMILESCCc1cc(C(CNC(=O)O)c2ccccc2)c(OC)nc1C
InChIInChI=1S/C18H22N2O3/c1-4-13-10-15(17(23-3)20-12(13)2)16(11-19-18(21)22)14-8-6-5-7-9-14/h5-10,16,19H,4,11H2,1-3H3,(H,21,22)
InChIKeyKXBPGGHLKWZPHQ-UHFFFAOYSA-N
XLogP3.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl-phenylcarbamic acid
CID 57165626
1-(benzhydrylcarbamoyl)-4-phenylpiperidine-4-carboxylic acid;1-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)carbamoyl]-4-phenylpiperidine-4-carboxylic acid
CID 70233534
[2-[2,6-bis(2,5-dimethylpyrrol-1-yl)-4-pyridinyl]-2-phenylethyl]carbamic acid
CID 130431764
[3-[(4-methoxyquinolin-2-yl)amino]-2-phenylpropyl]carbamic acid
CID 22640731
methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
CID 171489198
methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate
CID 177221814
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
[2-(3,4-dichlorophenyl)-3-hydroxy-3-(2-methoxyphenyl)propyl]carbamic acid
CID 118675649
1-(3-ethyl-8-methoxy-2-methylquinolin-6-yl)-2-phenylethanone
CID 21061076
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
(2S)-N-[(3-methoxy-5-methylpyrazin-2-yl)methyl]-2-phenylpropanamide
CID 122652250
[2-(6-methyl-4-oxo-3H-quinazolin-2-yl)-2-phenylethyl]carbamic acid
CID 137108828

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid?
The IUPAC name of [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid (CID 67666328) is [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid.
What is the SMILES notation for [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid?
The canonical SMILES for [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid is CCc1cc(C(CNC(=O)O)c2ccccc2)c(OC)nc1C.
What is the InChIKey of [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid?
The InChIKey is KXBPGGHLKWZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-13-10-15(17(23-3)20-12(13)2)16(11-19-18(21)22)14-8-6-5-7-9-14/h5-10,16,19H,4,11H2,1-3H3,(H,21,22).
What are the key properties of [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid?
[2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid has a molecular weight of 314.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-2-phenylethyl]carbamic acid is sourced from PubChem (CID 67666328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).