methyl N-(3-acetamidopropyl)-N-methylcarbamate

C8H16N2O3 — CID 89255429

IUPACmethyl N-(3-acetamidopropyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CCCNC(C)=O
InChIInChI=1S/C8H16N2O3/c1-7(11)9-5-4-6-10(2)8(12)13-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyUVSXYMDEAWPAEJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.21
Rot. Bonds4

About methyl N-(3-acetamidopropyl)-N-methylcarbamate

methyl N-(3-acetamidopropyl)-N-methylcarbamate (PubChem CID 89255429) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is methyl N-(3-acetamidopropyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(3-acetamidopropyl)-N-methylcarbamate
PubChem CID89255429
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Namemethyl N-(3-acetamidopropyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CCCNC(C)=O
InChIInChI=1S/C8H16N2O3/c1-7(11)9-5-4-6-10(2)8(12)13-3/h4-6H2,1-3H3,(H,9,11)
InChIKeyUVSXYMDEAWPAEJ-UHFFFAOYSA-N
XLogP0.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
methyl N-hexyl-N-methylcarbamate
CID 14923771
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[8-[hydroxy(methyl)amino]octyl]acetamide
CID 171589323
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
methyl N-(2-aminoethyl)-N-methylcarbamate
CID 58684648
3-acetamido-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202880
N-[3-[ethyl(2-methoxyethyl)amino]propyl]acetamide
CID 89358934
N-[3-[3-acetamidopropyl(methyl)amino]propyl]-2-methylprop-2-enamide
CID 87413302
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-acetamidopropyl)-N-methylcarbamate?
The IUPAC name of methyl N-(3-acetamidopropyl)-N-methylcarbamate (CID 89255429) is methyl N-(3-acetamidopropyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(3-acetamidopropyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(3-acetamidopropyl)-N-methylcarbamate is COC(=O)N(C)CCCNC(C)=O.
What is the InChIKey of methyl N-(3-acetamidopropyl)-N-methylcarbamate?
The InChIKey is UVSXYMDEAWPAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(11)9-5-4-6-10(2)8(12)13-3/h4-6H2,1-3H3,(H,9,11).
What are the key properties of methyl N-(3-acetamidopropyl)-N-methylcarbamate?
methyl N-(3-acetamidopropyl)-N-methylcarbamate has a molecular weight of 188.23 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-acetamidopropyl)-N-methylcarbamate is sourced from PubChem (CID 89255429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).