tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate

C14H21N3O5 — CID 108537102

IUPACtert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C14H21N3O5/c1-14(2,3)22-13(20)17-9-11(18)15-6-7-16-12(19)10-5-4-8-21-10/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyUHYCEVZGMIITMD-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.65
Rot. Bonds6

About tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate (PubChem CID 108537102) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
PubChem CID108537102
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Nametert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)NCCNC(=O)c1ccco1
InChIInChI=1S/C14H21N3O5/c1-14(2,3)22-13(20)17-9-11(18)15-6-7-16-12(19)10-5-4-8-21-10/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)(H,16,19)(H,17,20)
InChIKeyUHYCEVZGMIITMD-UHFFFAOYSA-N
XLogP0.65
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
tert-butyl N-[3-[[N-[2-(furan-2-carbonylamino)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887057
N-[2-[(2-chloroacetyl)amino]ethyl]furan-2-carboxamide
CID 108571159
tert-butyl N-[3-(furan-2-yl)-3-oxopropyl]carbamate
CID 165467897
tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 9162978
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
tert-butyl 4-[2-(furan-2-carbonylamino)ethylcarbamoyl]piperidine-1-carboxylate
CID 30797213
N-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]furan-2-carboxamide
CID 119278256
N-[2-(3-methylbutanoylamino)ethyl]furan-2-carboxamide
CID 40605624
N-[2-[[2-[(4-phenylbenzoyl)amino]acetyl]amino]ethyl]furan-2-carboxamide
CID 33191879

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate (CID 108537102) is tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)NCCNC(=O)c1ccco1.
What is the InChIKey of tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is UHYCEVZGMIITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-14(2,3)22-13(20)17-9-11(18)15-6-7-16-12(19)10-5-4-8-21-10/h4-5,8H,6-7,9H2,1-3H3,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 311.34 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108537102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).