6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide

C14H24N2O3 — CID 97090868

IUPAC6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N[C@@H](C)CC(=O)NC(C)C)CCCO1
InChIInChI=1S/C14H24N2O3/c1-9(2)15-13(17)8-10(3)16-14(18)12-6-5-7-19-11(12)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyONZRHBVRHYLGGI-JTQLQIEISA-N
MW268.36 g/mol
LogP1.49
Rot. Bonds5

About 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide

6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97090868) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97090868
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N[C@@H](C)CC(=O)NC(C)C)CCCO1
InChIInChI=1S/C14H24N2O3/c1-9(2)15-13(17)8-10(3)16-14(18)12-6-5-7-19-11(12)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyONZRHBVRHYLGGI-JTQLQIEISA-N
XLogP1.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 97090868) is 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)N[C@@H](C)CC(=O)NC(C)C)CCCO1.
What is the InChIKey of 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is ONZRHBVRHYLGGI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2)15-13(17)8-10(3)16-14(18)12-6-5-7-19-11(12)4/h9-10H,5-8H2,1-4H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-4-oxo-4-(propan-2-ylamino)butan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97090868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).