ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate

C17H25N3O4 — CID 51082173

IUPACethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C17H25N3O4/c1-3-23-17(22)20(2)12-15(21)19-11-13-8-9-18-16(10-13)24-14-6-4-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,21)
InChIKeyYPQHLLZORTUJOC-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.11
Rot. Bonds7

About ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate

ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate (PubChem CID 51082173) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate
PubChem CID51082173
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nameethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CC(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C17H25N3O4/c1-3-23-17(22)20(2)12-15(21)19-11-13-8-9-18-16(10-13)24-14-6-4-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,21)
InChIKeyYPQHLLZORTUJOC-UHFFFAOYSA-N
XLogP2.11
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
3-acetamido-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-(4-methylphenyl)propanamide
CID 86981473
3-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methyl-1-(3-methylcyclohexyl)urea
CID 112835458
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
4-[[[N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111874044
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]pyrazine-2-carboxamide
CID 53499351
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate (CID 51082173) is ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate is CCOC(=O)N(C)CC(=O)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate?
The InChIKey is YPQHLLZORTUJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-23-17(22)20(2)12-15(21)19-11-13-8-9-18-16(10-13)24-14-6-4-5-7-14/h8-10,14H,3-7,11-12H2,1-2H3,(H,19,21).
What are the key properties of ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate?
ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate has a molecular weight of 335.40 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 51082173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).