propyl N-(methoxymethyl)carbamate

C6H13NO3 — CID 142704391

IUPACpropyl N-(methoxymethyl)carbamate
SMILESCCCOC(=O)NCOC
InChIInChI=1S/C6H13NO3/c1-3-4-10-6(8)7-5-9-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyPHYYZTZVRKJCBI-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.73
Rot. Bonds4

About propyl N-(methoxymethyl)carbamate

propyl N-(methoxymethyl)carbamate (PubChem CID 142704391) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is propyl N-(methoxymethyl)carbamate.

Molecular Properties

Compound Namepropyl N-(methoxymethyl)carbamate
PubChem CID142704391
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Namepropyl N-(methoxymethyl)carbamate
SMILESCCCOC(=O)NCOC
InChIInChI=1S/C6H13NO3/c1-3-4-10-6(8)7-5-9-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyPHYYZTZVRKJCBI-UHFFFAOYSA-N
XLogP0.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-trimethylsilylethyl N-(methoxymethyl)carbamate
CID 155582903
propyl 2-(2-methoxyethoxycarbonylamino)acetate
CID 91693785
methyl N-(methoxymethyl)carbamate
CID 12599260
propyl N-(2-methylpropyl)carbamate
CID 91192078
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
ethyl 2-(propoxycarbonylamino)acetate
CID 6422290
ethane;propyl N-methylcarbamate
CID 142560404
butane;propyl N-hydroxycarbamate
CID 174767978
2-methoxyethyl N-[2-(2-methoxyethoxycarbonylamino)ethyl]carbamate
CID 118910846
1-ethoxy-3-(methoxymethyl)urea
CID 146345453
3-(propoxycarbonylamino)propylcarbamic acid
CID 139823184

Frequently Asked Questions

What is the IUPAC name of propyl N-(methoxymethyl)carbamate?
The IUPAC name of propyl N-(methoxymethyl)carbamate (CID 142704391) is propyl N-(methoxymethyl)carbamate.
What is the SMILES notation for propyl N-(methoxymethyl)carbamate?
The canonical SMILES for propyl N-(methoxymethyl)carbamate is CCCOC(=O)NCOC.
What is the InChIKey of propyl N-(methoxymethyl)carbamate?
The InChIKey is PHYYZTZVRKJCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-4-10-6(8)7-5-9-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of propyl N-(methoxymethyl)carbamate?
propyl N-(methoxymethyl)carbamate has a molecular weight of 147.17 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-(methoxymethyl)carbamate is sourced from PubChem (CID 142704391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).