(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide

C15H20N2O3 — CID 95213419

IUPAC(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)[C@H]2CCOC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-13(5-3-11)17-14(18)6-8-16-15(19)12-7-9-20-10-12/h2-5,12H,6-10H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyMESJXYAPPVIWCC-LBPRGKRZSA-N
MW276.34 g/mol
LogP1.48
Rot. Bonds5

About (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide

(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide (PubChem CID 95213419) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide
PubChem CID95213419
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide
SMILESCc1ccc(NC(=O)CCNC(=O)[C@H]2CCOC2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-2-4-13(5-3-11)17-14(18)6-8-16-15(19)12-7-9-20-10-12/h2-5,12H,6-10H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1
InChIKeyMESJXYAPPVIWCC-LBPRGKRZSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide (CID 95213419) is (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide is Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCOC2)cc1.
What is the InChIKey of (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide?
The InChIKey is MESJXYAPPVIWCC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-2-4-13(5-3-11)17-14(18)6-8-16-15(19)12-7-9-20-10-12/h2-5,12H,6-10H2,1H3,(H,16,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide?
(3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(4-methylanilino)-3-oxopropyl]oxolane-3-carboxamide is sourced from PubChem (CID 95213419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).