[3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate

C15H21N3O4 — CID 22363203

IUPAC[3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1ncccc1OCC1CCCCC1
InChIInChI=1S/C15H21N3O4/c16-9-13(19)18-15(20)22-14-12(7-4-8-17-14)21-10-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,16H2,(H,18,19,20)
InChIKeyIEJUUGRVIQMTLQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.61
Rot. Bonds5

About [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate

[3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate (PubChem CID 22363203) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name[3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate
PubChem CID22363203
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name[3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1ncccc1OCC1CCCCC1
InChIInChI=1S/C15H21N3O4/c16-9-13(19)18-15(20)22-14-12(7-4-8-17-14)21-10-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,16H2,(H,18,19,20)
InChIKeyIEJUUGRVIQMTLQ-UHFFFAOYSA-N
XLogP1.61
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The IUPAC name of [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate (CID 22363203) is [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate.
What is the SMILES notation for [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The canonical SMILES for [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate is NCC(=O)NC(=O)Oc1ncccc1OCC1CCCCC1.
What is the InChIKey of [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The InChIKey is IEJUUGRVIQMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c16-9-13(19)18-15(20)22-14-12(7-4-8-17-14)21-10-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10,16H2,(H,18,19,20).
What are the key properties of [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate?
[3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate has a molecular weight of 307.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethoxy)-2-pyridinyl] N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).