ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate

C14H27N3O4 — CID 160936795

IUPACethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCCN(C)C(=O)N(CC)C(=O)CC
InChIInChI=1S/C14H27N3O4/c1-6-12(18)17(7-2)13(19)15(4)10-9-11-16(5)14(20)21-8-3/h6-11H2,1-5H3
InChIKeyOZQFNZJMDOHOBM-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.78
Rot. Bonds7

About ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate

ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate (PubChem CID 160936795) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
PubChem CID160936795
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Nameethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCCN(C)C(=O)N(CC)C(=O)CC
InChIInChI=1S/C14H27N3O4/c1-6-12(18)17(7-2)13(19)15(4)10-9-11-16(5)14(20)21-8-3/h6-11H2,1-5H3
InChIKeyOZQFNZJMDOHOBM-UHFFFAOYSA-N
XLogP1.78
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethoxycarbonyl(ethyl)carbamic acid
CID 54008560
ethyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
CID 60652110

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate (CID 160936795) is ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate is CCOC(=O)N(C)CCCN(C)C(=O)N(CC)C(=O)CC.
What is the InChIKey of ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate?
The InChIKey is OZQFNZJMDOHOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-6-12(18)17(7-2)13(19)15(4)10-9-11-16(5)14(20)21-8-3/h6-11H2,1-5H3.
What are the key properties of ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate?
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate has a molecular weight of 301.39 g/mol, XLogP of 1.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate is sourced from PubChem (CID 160936795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).