tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate

C19H27N3O5 — CID 108918059

IUPACtert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1CNC(=O)C1CCCO1
InChIInChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)21-12-16(23)22-14-8-5-4-7-13(14)11-20-17(24)15-9-6-10-26-15/h4-5,7-8,15H,6,9-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyNRIKKENEIPKLDI-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.95
Rot. Bonds6

About tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate (PubChem CID 108918059) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
PubChem CID108918059
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Nametert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1ccccc1CNC(=O)C1CCCO1
InChIInChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)21-12-16(23)22-14-8-5-4-7-13(14)11-20-17(24)15-9-6-10-26-15/h4-5,7-8,15H,6,9-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyNRIKKENEIPKLDI-UHFFFAOYSA-N
XLogP1.95
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[2-[[[2-(2-methylphenyl)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918147
tert-butyl N-[2-[2-[[[(E)-3-cyclopentylbut-2-enoyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918263
tert-butyl N-[2-oxo-2-[2-[[(2,2,2-trifluoroacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108917889
tert-butyl N-[2-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917977
tert-butyl N-[2-[2-(cyclopentanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917443
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369
tert-butyl N-[2-[2-[(3-methoxypropanoylamino)methyl]anilino]-2-oxoethyl]carbamate
CID 108918087
tert-butyl N-[2-[2-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918249
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
tert-butyl N-[2-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918152
tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917989
tert-butyl N-[2-[2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate (CID 108918059) is tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1ccccc1CNC(=O)C1CCCO1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate?
The InChIKey is NRIKKENEIPKLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-19(2,3)27-18(25)21-12-16(23)22-14-8-5-4-7-13(14)11-20-17(24)15-9-6-10-26-15/h4-5,7-8,15H,6,9-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate has a molecular weight of 377.44 g/mol, XLogP of 1.95, 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-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate is sourced from PubChem (CID 108918059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).