ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate

C11H22N2O3 — CID 170571033

IUPACethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
SMILESCCOC(=O)N(C)CCCN(C)C(=O)CC
InChIInChI=1S/C11H22N2O3/c1-5-10(14)12(3)8-7-9-13(4)11(15)16-6-2/h5-9H2,1-4H3
InChIKeyQQWWGCBKPNCPIB-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.33
Rot. Bonds6

About ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate

ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate (PubChem CID 170571033) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
PubChem CID170571033
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
SMILESCCOC(=O)N(C)CCCN(C)C(=O)CC
InChIInChI=1S/C11H22N2O3/c1-5-10(14)12(3)8-7-9-13(4)11(15)16-6-2/h5-9H2,1-4H3
InChIKeyQQWWGCBKPNCPIB-UHFFFAOYSA-N
XLogP1.33
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
CID 160936795
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;(4-methylphenyl)methyl N-methyl-N-[2-[methyl(propanoyl)amino]ethyl]carbamate
CID 178047000
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
N-methyl-N-(3-trimethoxysilylpropyl)propanamide
CID 87495957

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate (CID 170571033) is ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate is CCOC(=O)N(C)CCCN(C)C(=O)CC.
What is the InChIKey of ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate?
The InChIKey is QQWWGCBKPNCPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-10(14)12(3)8-7-9-13(4)11(15)16-6-2/h5-9H2,1-4H3.
What are the key properties of ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate?
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate is sourced from PubChem (CID 170571033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).