tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate

C15H30N2O3 — CID 24689070

IUPACtert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
SMILESCCCN(CCC)C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-11-17(12-7-2)13(18)9-8-10-16-14(19)20-15(3,4)5/h6-12H2,1-5H3,(H,16,19)
InChIKeyAUPWJQGBQDFEAR-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.94
Rot. Bonds8

About tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate

tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate (PubChem CID 24689070) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
PubChem CID24689070
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate
SMILESCCCN(CCC)C(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O3/c1-6-11-17(12-7-2)13(18)9-8-10-16-14(19)20-15(3,4)5/h6-12H2,1-5H3,(H,16,19)
InChIKeyAUPWJQGBQDFEAR-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-[8-(dibutylamino)-8-oxooctyl]carbamate
CID 54265387
tert-butyl N-[3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethyl]amino]propyl]carbamate
CID 163895962
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-nonylcarbamate;ethane
CID 168941348
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-[3-[3-aminopropyl(propyl)amino]propyl]carbamate
CID 170082175
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[4-[ethyl(thiophen-2-ylmethyl)amino]-4-oxobutyl]carbamate
CID 134029504

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate (CID 24689070) is tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate is CCCN(CCC)C(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate?
The InChIKey is AUPWJQGBQDFEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-11-17(12-7-2)13(18)9-8-10-16-14(19)20-15(3,4)5/h6-12H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(dipropylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 24689070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).