(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide

C23H34N2O3 — CID 58513877

IUPAC(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc2n(c1=O)[C@H](C(=O)CCCC1CCCCC1)CC2
InChIInChI=1S/C23H34N2O3/c1-3-16(2)22(27)24-19-14-12-18-13-15-20(25(18)23(19)28)21(26)11-7-10-17-8-5-4-6-9-17/h12,14,16-17,20H,3-11,13,15H2,1-2H3,(H,24,27)/t16-,20+/m1/s1
InChIKeyKBXSYNUROGWEPF-UZLBHIALSA-N
MW386.54 g/mol
LogP4.64
Rot. Bonds8

About (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide

(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide (PubChem CID 58513877) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide
PubChem CID58513877
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc2n(c1=O)[C@H](C(=O)CCCC1CCCCC1)CC2
InChIInChI=1S/C23H34N2O3/c1-3-16(2)22(27)24-19-14-12-18-13-15-20(25(18)23(19)28)21(26)11-7-10-17-8-5-4-6-9-17/h12,14,16-17,20H,3-11,13,15H2,1-2H3,(H,24,27)/t16-,20+/m1/s1
InChIKeyKBXSYNUROGWEPF-UZLBHIALSA-N
XLogP4.64
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide (CID 58513877) is (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ccc2n(c1=O)[C@H](C(=O)CCCC1CCCCC1)CC2.
What is the InChIKey of (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide?
The InChIKey is KBXSYNUROGWEPF-UZLBHIALSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-3-16(2)22(27)24-19-14-12-18-13-15-20(25(18)23(19)28)21(26)11-7-10-17-8-5-4-6-9-17/h12,14,16-17,20H,3-11,13,15H2,1-2H3,(H,24,27)/t16-,20+/m1/s1.
What are the key properties of (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide?
(2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide has a molecular weight of 386.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-3-(4-cyclohexylbutanoyl)-5-oxo-2,3-dihydro-1H-indolizin-6-yl]-2-methylbutanamide is sourced from PubChem (CID 58513877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).