tert-butyl N-(5-oxoheptyl)-N-propylcarbamate

C15H29NO3 — CID 89128098

IUPACtert-butyl N-(5-oxoheptyl)-N-propylcarbamate
SMILESCCCN(CCCCC(=O)CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-11-16(14(18)19-15(3,4)5)12-9-8-10-13(17)7-2/h6-12H2,1-5H3
InChIKeyDVCCNIWNFJZAFB-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.78
Rot. Bonds8

About tert-butyl N-(5-oxoheptyl)-N-propylcarbamate

tert-butyl N-(5-oxoheptyl)-N-propylcarbamate (PubChem CID 89128098) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-(5-oxoheptyl)-N-propylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(5-oxoheptyl)-N-propylcarbamate
PubChem CID89128098
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-(5-oxoheptyl)-N-propylcarbamate
SMILESCCCN(CCCCC(=O)CC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-6-11-16(14(18)19-15(3,4)5)12-9-8-10-13(17)7-2/h6-12H2,1-5H3
InChIKeyDVCCNIWNFJZAFB-UHFFFAOYSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-[5-(methylamino)pentyl]-N-propylcarbamate
CID 122608338
tert-butyl N-ethyl-N-(3-oxopentyl)carbamate
CID 122518879
3-[3-butanoyloxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl butanoate
CID 123332109
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
3-[butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 42656893
tert-butyl N-[(6R)-6-chlorooctyl]-N-propylcarbamate
CID 129405651
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-butyl-N-(2-chloroethyl)carbamate
CID 114293365
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N-[(Z)-4-[(E)-but-2-en-2-yl]-4-hydroxy-5-methylhept-5-enyl]-N-propylcarbamate
CID 145332819
tert-butyl N,N-bis[2-[7-aminoheptyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 57136668

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-oxoheptyl)-N-propylcarbamate?
The IUPAC name of tert-butyl N-(5-oxoheptyl)-N-propylcarbamate (CID 89128098) is tert-butyl N-(5-oxoheptyl)-N-propylcarbamate.
What is the SMILES notation for tert-butyl N-(5-oxoheptyl)-N-propylcarbamate?
The canonical SMILES for tert-butyl N-(5-oxoheptyl)-N-propylcarbamate is CCCN(CCCCC(=O)CC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-oxoheptyl)-N-propylcarbamate?
The InChIKey is DVCCNIWNFJZAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-6-11-16(14(18)19-15(3,4)5)12-9-8-10-13(17)7-2/h6-12H2,1-5H3.
What are the key properties of tert-butyl N-(5-oxoheptyl)-N-propylcarbamate?
tert-butyl N-(5-oxoheptyl)-N-propylcarbamate has a molecular weight of 271.40 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-oxoheptyl)-N-propylcarbamate is sourced from PubChem (CID 89128098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).