4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide

C15H21N3O3 — CID 66266779

IUPAC4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C1COCC1NC
InChIInChI=1S/C15H21N3O3/c1-16-13-9-21-8-11(13)15(20)18-12-6-4-3-5-10(12)7-14(19)17-2/h3-6,11,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWOGNSSNYUFXQPD-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.15
Rot. Bonds5

About 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide

4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide (PubChem CID 66266779) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide
PubChem CID66266779
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide
SMILESCNC(=O)Cc1ccccc1NC(=O)C1COCC1NC
InChIInChI=1S/C15H21N3O3/c1-16-13-9-21-8-11(13)15(20)18-12-6-4-3-5-10(12)7-14(19)17-2/h3-6,11,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWOGNSSNYUFXQPD-UHFFFAOYSA-N
XLogP0.15
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide (CID 66266779) is 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide is CNC(=O)Cc1ccccc1NC(=O)C1COCC1NC.
What is the InChIKey of 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide?
The InChIKey is WOGNSSNYUFXQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-16-13-9-21-8-11(13)15(20)18-12-6-4-3-5-10(12)7-14(19)17-2/h3-6,11,13,16H,7-9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide?
4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66266779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).