2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate

C13H25NO4 — CID 134572737

IUPAC2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
SMILESCC(C)COC(=O)NCCOCCC(=O)C(C)C
InChIInChI=1S/C13H25NO4/c1-10(2)9-18-13(16)14-6-8-17-7-5-12(15)11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKeyDYVGWQVXNZFTFN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.00
Rot. Bonds9

About 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate

2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate (PubChem CID 134572737) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
PubChem CID134572737
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
SMILESCC(C)COC(=O)NCCOCCC(=O)C(C)C
InChIInChI=1S/C13H25NO4/c1-10(2)9-18-13(16)14-6-8-17-7-5-12(15)11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
InChIKeyDYVGWQVXNZFTFN-UHFFFAOYSA-N
XLogP2.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate
CID 169024379
2-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 176577667
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(2-methylpropoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162349007
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
N-[2-(4-methyl-3-oxopentoxy)ethyl]-2-methylsulfanylacetamide
CID 121480756
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
4-methyl-1-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]pentan-3-one
CID 135299160
3-[3-[2-(4-methyl-3-oxohexoxy)ethylamino]-3-oxopropoxy]-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 138721605
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 126007916
2-methylpropyl N-[2-[2-[2-[2-[(3-ethylsulfanyl-3-methylbutanoyl)amino]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 139307746
2-methyl-N-[2-(2-methylpropoxy)ethyl]propanamide
CID 115588551

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate?
The IUPAC name of 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate (CID 134572737) is 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate is CC(C)COC(=O)NCCOCCC(=O)C(C)C.
What is the InChIKey of 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate?
The InChIKey is DYVGWQVXNZFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-10(2)9-18-13(16)14-6-8-17-7-5-12(15)11(3)4/h10-11H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate?
2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[2-(4-methyl-3-oxopentoxy)ethyl]carbamate is sourced from PubChem (CID 134572737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).