2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate

C12H24N2O4 — CID 3115351

IUPAC2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
SMILESCCNC(=O)OCC(CC)NC(=O)OCC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-10(8-18-11(15)13-6-2)14-12(16)17-7-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyWHBGHNZXKZHWBE-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.89
Rot. Bonds7

About 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate

2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate (PubChem CID 3115351) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate.

Molecular Properties

Compound Name2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
PubChem CID3115351
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate
SMILESCCNC(=O)OCC(CC)NC(=O)OCC(C)C
InChIInChI=1S/C12H24N2O4/c1-5-10(8-18-11(15)13-6-2)14-12(16)17-7-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyWHBGHNZXKZHWBE-UHFFFAOYSA-N
XLogP1.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(1-cyanopropyl)carbamate
CID 61124599
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
2-methylpropyl N-propan-2-ylcarbamate
CID 20815988
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-(propan-2-yloxycarbonylamino)butyl N-butylcarbamate
CID 654802
2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-methylpropyl N-(1-amino-3-methoxypropan-2-yl)carbamate
CID 106181066
2-methylpropyl N-[(5S)-2,5-dimethyl-3-oxoheptan-4-yl]carbamate
CID 58715292
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
CID 66165028

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate?
The IUPAC name of 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate (CID 3115351) is 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate.
What is the SMILES notation for 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate?
The canonical SMILES for 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate is CCNC(=O)OCC(CC)NC(=O)OCC(C)C.
What is the InChIKey of 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate?
The InChIKey is WHBGHNZXKZHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-10(8-18-11(15)13-6-2)14-12(16)17-7-9(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate?
2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate has a molecular weight of 260.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxycarbonylamino)butyl N-ethylcarbamate is sourced from PubChem (CID 3115351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).