[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate

C12H24N2O4 — CID 170775177

IUPAC[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
SMILESCC(C)(C)COCNC(=O)CCCCOC(N)=O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)8-17-9-14-10(15)6-4-5-7-18-11(13)16/h4-9H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyFGYVZIYSSCBHDG-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.39
Rot. Bonds8

About [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate

[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate (PubChem CID 170775177) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate.

Molecular Properties

Compound Name[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
PubChem CID170775177
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate
SMILESCC(C)(C)COCNC(=O)CCCCOC(N)=O
InChIInChI=1S/C12H24N2O4/c1-12(2,3)8-17-9-14-10(15)6-4-5-7-18-11(13)16/h4-9H2,1-3H3,(H2,13,16)(H,14,15)
InChIKeyFGYVZIYSSCBHDG-UHFFFAOYSA-N
XLogP1.39
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 22489108
methyl 18-carbamoyloxyoctadecanoate
CID 126739375
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CID 168855323
9-carbamoyloxynonyl carbamate
CID 87883969
6-O-[2-(2,2-dimethylpropoxy)ethyl] 1-O-(4-hydroxybutyl) hexanedioate
CID 175013288
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
5-(tert-butylamino)pentyl carbamate;hydrochloride
CID 117067988
18-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 145081788
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
4-[(2-chloroacetyl)amino]butyl carbamate
CID 175179769
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-7,7-dimethyloctanamide
CID 176614152
ethane;pentyl carbamate
CID 142339635

Frequently Asked Questions

What is the IUPAC name of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
The IUPAC name of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate (CID 170775177) is [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate.
What is the SMILES notation for [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
The canonical SMILES for [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate is CC(C)(C)COCNC(=O)CCCCOC(N)=O.
What is the InChIKey of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
The InChIKey is FGYVZIYSSCBHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(2,3)8-17-9-14-10(15)6-4-5-7-18-11(13)16/h4-9H2,1-3H3,(H2,13,16)(H,14,15).
What are the key properties of [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate?
[5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate has a molecular weight of 260.33 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2-dimethylpropoxymethylamino)-5-oxopentyl] carbamate is sourced from PubChem (CID 170775177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).