ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate

C18H22N2O2 — CID 110361056

IUPACethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
SMILESCCOC(=O)NCC(Cc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-3-22-18(21)20-13-17(11-15-5-4-10-19-12-15)16-8-6-14(2)7-9-16/h4-10,12,17H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyZQQFQDCWSUEJQE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.46
Rot. Bonds6

About ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate

ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate (PubChem CID 110361056) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
PubChem CID110361056
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Nameethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
SMILESCCOC(=O)NCC(Cc1cccnc1)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O2/c1-3-22-18(21)20-13-17(11-15-5-4-10-19-12-15)16-8-6-14(2)7-9-16/h4-10,12,17H,3,11,13H2,1-2H3,(H,20,21)
InChIKeyZQQFQDCWSUEJQE-UHFFFAOYSA-N
XLogP3.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 110361132
ethyl 2-fluoro-3-pyridin-3-ylpropanoate
CID 55265604
diethyl 2-(1-pyridin-3-ylpropan-2-yl)propanedioate
CID 67382967
N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361067
N-ethyl-1-(4-methylphenyl)-2-pyridin-3-ylethanamine
CID 62551907
2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide
CID 18735085
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
1,1-diethyl-3-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]urea
CID 110361075
2-amino-N-ethyl-3-pyridin-3-ylpropanamide
CID 129276971
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-2-amine
CID 81023850

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate?
The IUPAC name of ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate (CID 110361056) is ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate?
The canonical SMILES for ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate is CCOC(=O)NCC(Cc1cccnc1)c1ccc(C)cc1.
What is the InChIKey of ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate?
The InChIKey is ZQQFQDCWSUEJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-18(21)20-13-17(11-15-5-4-10-19-12-15)16-8-6-14(2)7-9-16/h4-10,12,17H,3,11,13H2,1-2H3,(H,20,21).
What are the key properties of ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate?
ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate has a molecular weight of 298.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate is sourced from PubChem (CID 110361056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).