N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide

C15H19N3O4 — CID 112999667

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)C2CCCO2)c1
InChIInChI=1S/C15H19N3O4/c1-10(19)17-11-4-2-5-12(8-11)18-14(20)9-16-15(21)13-6-3-7-22-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyKJPHGNNKSGEUQN-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide

N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 112999667) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
PubChem CID112999667
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)C2CCCO2)c1
InChIInChI=1S/C15H19N3O4/c1-10(19)17-11-4-2-5-12(8-11)18-14(20)9-16-15(21)13-6-3-7-22-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyKJPHGNNKSGEUQN-UHFFFAOYSA-N
XLogP0.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 49336024
N-[2-(3-cyanoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001915
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183
N-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
(2R)-N-[3-[(2-methoxyacetyl)amino]phenyl]oxolane-2-carboxamide
CID 38396649
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 110605031
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
N-[2-oxo-2-(2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 112997084
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]oxolane-2-carboxamide
CID 108924019

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide (CID 112999667) is N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide is CC(=O)Nc1cccc(NC(=O)CNC(=O)C2CCCO2)c1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is KJPHGNNKSGEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10(19)17-11-4-2-5-12(8-11)18-14(20)9-16-15(21)13-6-3-7-22-13/h2,4-5,8,13H,3,6-7,9H2,1H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 112999667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).