[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate

C17H19N3O4 — CID 122516202

IUPAC[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
SMILESCOCCNC(=O)c1ccc(-c2cc(COC(N)=O)ccn2)cc1
InChIInChI=1S/C17H19N3O4/c1-23-9-8-20-16(21)14-4-2-13(3-5-14)15-10-12(6-7-19-15)11-24-17(18)22/h2-7,10H,8-9,11H2,1H3,(H2,18,22)(H,20,21)
InChIKeySXCZDJUVQDTJIP-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.72
Rot. Bonds7

About [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate

[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate (PubChem CID 122516202) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate.

Molecular Properties

Compound Name[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
PubChem CID122516202
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate
SMILESCOCCNC(=O)c1ccc(-c2cc(COC(N)=O)ccn2)cc1
InChIInChI=1S/C17H19N3O4/c1-23-9-8-20-16(21)14-4-2-13(3-5-14)15-10-12(6-7-19-15)11-24-17(18)22/h2-7,10H,8-9,11H2,1H3,(H2,18,22)(H,20,21)
InChIKeySXCZDJUVQDTJIP-UHFFFAOYSA-N
XLogP1.72
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-[6-[4-(2-methoxyethylcarbamoyl)phenyl]pyrimidin-4-yl]benzamide
CID 11080574
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392
4-(4-aminophenyl)-N-(2-methoxyethyl)benzamide
CID 91665664
N-(3-methoxypropyl)-4-pyridin-2-ylbenzamide
CID 110464861
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
4-(4-methyl-2-pyridinyl)-N-propylbenzamide
CID 59673771
N-(2-methoxyethyl)-2-(1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131636
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673106
N-(2-methoxyethyl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24605172
3-[[4-(aminomethyl)-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 122516140
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-[4-(hydroxymethyl)-2-pyridinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122560927

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate?
The IUPAC name of [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate (CID 122516202) is [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate.
What is the SMILES notation for [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate?
The canonical SMILES for [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate is COCCNC(=O)c1ccc(-c2cc(COC(N)=O)ccn2)cc1.
What is the InChIKey of [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate?
The InChIKey is SXCZDJUVQDTJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-23-9-8-20-16(21)14-4-2-13(3-5-14)15-10-12(6-7-19-15)11-24-17(18)22/h2-7,10H,8-9,11H2,1H3,(H2,18,22)(H,20,21).
What are the key properties of [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate?
[2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate has a molecular weight of 329.36 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-methoxyethylcarbamoyl)phenyl]-4-pyridinyl]methyl carbamate is sourced from PubChem (CID 122516202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).