tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate

C13H26N2O3 — CID 24688510

IUPACtert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
SMILESCCC(C)NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-6-10(2)15-11(16)8-7-9-14-12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyQZDSYFBBPDERSZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.21
Rot. Bonds6

About tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate

tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate (PubChem CID 24688510) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
PubChem CID24688510
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate
SMILESCCC(C)NC(=O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-6-10(2)15-11(16)8-7-9-14-12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyQZDSYFBBPDERSZ-UHFFFAOYSA-N
XLogP2.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-[4-(hexan-2-ylamino)-4-oxobutyl]carbamate
CID 62198577
tert-butyl N-[2-[2-(butan-2-ylamino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84558363
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
(2S)-3-methyl-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]pentanoic acid
CID 59816523
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253
tert-butyl N-[5-amino-6-oxo-6-[[5-oxo-5-(pentan-2-ylamino)pentan-2-yl]amino]hexyl]carbamate
CID 166964540
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[3-(pentan-2-ylamino)propyl]carbamate
CID 81344324
6-acetamido-N-butan-2-ylhexanamide
CID 60652726
tert-butyl N-[4-[(2-cyanoacetyl)amino]pentyl]carbamate
CID 126816987
tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 173365471

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate (CID 24688510) is tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate is CCC(C)NC(=O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate?
The InChIKey is QZDSYFBBPDERSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-10(2)15-11(16)8-7-9-14-12(17)18-13(3,4)5/h10H,6-9H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate?
tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(butan-2-ylamino)-4-oxobutyl]carbamate is sourced from PubChem (CID 24688510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).