ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate

C13H19N3O3 — CID 113055468

IUPACethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(Cc1ccncc1)C(C)=O
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)15-8-9-16(11(2)17)10-12-4-6-14-7-5-12/h4-7H,3,8-10H2,1-2H3,(H,15,18)
InChIKeySEIZSQXILZACSJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.18
Rot. Bonds6

About ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate

ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate (PubChem CID 113055468) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
PubChem CID113055468
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(Cc1ccncc1)C(C)=O
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)15-8-9-16(11(2)17)10-12-4-6-14-7-5-12/h4-7H,3,8-10H2,1-2H3,(H,15,18)
InChIKeySEIZSQXILZACSJ-UHFFFAOYSA-N
XLogP1.18
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113055411
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
ethyl N-[2-[acetyl(2-phenylethyl)amino]ethyl]carbamate
CID 113055587
N-pentyl-N-(pyridin-4-ylmethyl)acetamide
CID 46205843
ethyl N-[2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]ethyl]carbamate
CID 113055776
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-3-phenoxypropanamide
CID 113055446
N-[2-(benzenesulfonamido)ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055482
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552
N-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055517
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
ethyl N-[2-(N-acetyl-2-methylanilino)ethyl]carbamate
CID 113057346
N-[2-[(4-propan-2-yloxyphenyl)sulfonylamino]ethyl]-N-(pyridin-4-ylmethyl)acetamide
CID 113055521

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate (CID 113055468) is ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate is CCOC(=O)NCCN(Cc1ccncc1)C(C)=O.
What is the InChIKey of ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate?
The InChIKey is SEIZSQXILZACSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)15-8-9-16(11(2)17)10-12-4-6-14-7-5-12/h4-7H,3,8-10H2,1-2H3,(H,15,18).
What are the key properties of ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate?
ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]carbamate is sourced from PubChem (CID 113055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).