N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide

C16H22N2O3 — CID 112997084

IUPACN-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CNC(=O)C1CCCO1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-6-3-4-7-13(12)18-15(19)10-17-16(20)14-8-5-9-21-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUVCLDBUGJGKJHW-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.04
Rot. Bonds5

About N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide

N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide (PubChem CID 112997084) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
PubChem CID112997084
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)CNC(=O)C1CCCO1
InChIInChI=1S/C16H22N2O3/c1-11(2)12-6-3-4-7-13(12)18-15(19)10-17-16(20)14-8-5-9-21-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyUVCLDBUGJGKJHW-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxane-4-carboxamide
CID 112997122
N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000271
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112999667
N-[2-(2,4-difluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113000825
tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
CID 108918059
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54837162
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
1-(oxolan-2-yl)-3-(2-propan-2-ylphenyl)urea
CID 110706700
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide (CID 112997084) is N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide is CC(C)c1ccccc1NC(=O)CNC(=O)C1CCCO1.
What is the InChIKey of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
The InChIKey is UVCLDBUGJGKJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)12-6-3-4-7-13(12)18-15(19)10-17-16(20)14-8-5-9-21-14/h3-4,6-7,11,14H,5,8-10H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide?
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112997084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).