tert-butyl N-[5-(butanoylamino)pentyl]carbamate

C14H28N2O3 — CID 90324113

IUPACtert-butyl N-[5-(butanoylamino)pentyl]carbamate
SMILESCCCC(=O)NCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-5-9-12(17)15-10-7-6-8-11-16-13(18)19-14(2,3)4/h5-11H2,1-4H3,(H,15,17)(H,16,18)
InChIKeySCLMRHYOOXBDMQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.60
Rot. Bonds8

About tert-butyl N-[5-(butanoylamino)pentyl]carbamate

tert-butyl N-[5-(butanoylamino)pentyl]carbamate (PubChem CID 90324113) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[5-(butanoylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(butanoylamino)pentyl]carbamate
PubChem CID90324113
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[5-(butanoylamino)pentyl]carbamate
SMILESCCCC(=O)NCCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-5-9-12(17)15-10-7-6-8-11-16-13(18)19-14(2,3)4/h5-11H2,1-4H3,(H,15,17)(H,16,18)
InChIKeySCLMRHYOOXBDMQ-UHFFFAOYSA-N
XLogP2.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.60
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-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[4-(hexadecanoylamino)butyl]carbamate
CID 54129865
tert-butyl N-[3-[3-(butanoylamino)propylamino]propyl]carbamate
CID 163381103
4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-4-oxobutanoic acid
CID 10018649
tert-butyl N-nonylcarbamate;ethane
CID 168941348
11-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]undecanoic acid
CID 171702838
tert-butyl N-[3-[4-[3-[[10-[3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]butylamino]propylamino]-10-oxodecanoyl]amino]propylamino]butylamino]propyl]carbamate
CID 10190757
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878
tert-butyl N-[6-[8-(6-aminohexanoylamino)octylamino]-6-oxohexyl]carbamate
CID 10576339
3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid
CID 171702836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(butanoylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(butanoylamino)pentyl]carbamate (CID 90324113) is tert-butyl N-[5-(butanoylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(butanoylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(butanoylamino)pentyl]carbamate is CCCC(=O)NCCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(butanoylamino)pentyl]carbamate?
The InChIKey is SCLMRHYOOXBDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-9-12(17)15-10-7-6-8-11-16-13(18)19-14(2,3)4/h5-11H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[5-(butanoylamino)pentyl]carbamate?
tert-butyl N-[5-(butanoylamino)pentyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(butanoylamino)pentyl]carbamate is sourced from PubChem (CID 90324113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).