1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate

C10H20N2O4 — CID 4183002

IUPAC1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate
SMILESCCCCNC(=O)OC(C)CNC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-4-5-6-11-10(14)16-8(2)7-12-9(13)15-3/h8H,4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeySLKPANONXGKHNM-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.26
Rot. Bonds6

About 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate

1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate (PubChem CID 4183002) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate.

Molecular Properties

Compound Name1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate
PubChem CID4183002
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate
SMILESCCCCNC(=O)OC(C)CNC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-4-5-6-11-10(14)16-8(2)7-12-9(13)15-3/h8H,4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKeySLKPANONXGKHNM-UHFFFAOYSA-N
XLogP1.26
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate?
The IUPAC name of 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate (CID 4183002) is 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate.
What is the SMILES notation for 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate?
The canonical SMILES for 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate is CCCCNC(=O)OC(C)CNC(=O)OC.
What is the InChIKey of 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate?
The InChIKey is SLKPANONXGKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-4-5-6-11-10(14)16-8(2)7-12-9(13)15-3/h8H,4-7H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate?
1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate has a molecular weight of 232.28 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxycarbonylamino)propan-2-yl N-butylcarbamate is sourced from PubChem (CID 4183002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).