2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate

C14H27NO4 — CID 87723384

IUPAC2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate
SMILESCOCCCCC(=O)CCN(C)C(=O)OCC(C)C
InChIInChI=1S/C14H27NO4/c1-12(2)11-19-14(17)15(3)9-8-13(16)7-5-6-10-18-4/h12H,5-11H2,1-4H3
InChIKeyHGANWRNLZMYJDT-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.49
Rot. Bonds10

About 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate

2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate (PubChem CID 87723384) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate
PubChem CID87723384
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate
SMILESCOCCCCC(=O)CCN(C)C(=O)OCC(C)C
InChIInChI=1S/C14H27NO4/c1-12(2)11-19-14(17)15(3)9-8-13(16)7-5-6-10-18-4/h12H,5-11H2,1-4H3
InChIKeyHGANWRNLZMYJDT-UHFFFAOYSA-N
XLogP2.49
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl N-(2-methoxyethyl)-N-methylcarbamate
CID 167089831
2-methylpropyl 5-methoxypentanoate
CID 134561762
2-[methyl(2-methylpropoxycarbonyl)amino]ethyl acetate
CID 165163871
2-methylpropyl N-(2-chloroethyl)-N-methylcarbamate
CID 106441648
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
2-methylpropyl N-methyl-N-(2-methylprop-2-enyl)carbamate
CID 162502181
1-methoxynonan-4-one
CID 65091900
3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246
10-O-(4-methoxy-2-methylbutyl) 1-O-(2-methylpropyl) decanedioate
CID 91702818
1-(dimethylamino)-5-methoxypentan-2-one
CID 114854087
2-methylpropyl 2-[2-[2-methoxyethoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
CID 91723528

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate?
The IUPAC name of 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate (CID 87723384) is 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate.
What is the SMILES notation for 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate?
The canonical SMILES for 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate is COCCCCC(=O)CCN(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate?
The InChIKey is HGANWRNLZMYJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-12(2)11-19-14(17)15(3)9-8-13(16)7-5-6-10-18-4/h12H,5-11H2,1-4H3.
What are the key properties of 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate?
2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate has a molecular weight of 273.37 g/mol, XLogP of 2.49, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(7-methoxy-3-oxoheptyl)-N-methylcarbamate is sourced from PubChem (CID 87723384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).