2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide

C19H28N2O3 — CID 72786009

IUPAC2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCOCC(O)(CCC(C)=C(C)C)C1Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C19H28N2O3/c1-12(2)13(3)7-8-19(23,11-24-4)17-10-15-9-14(18(20)22)5-6-16(15)21-17/h5-6,9,17,21,23H,7-8,10-11H2,1-4H3,(H2,20,22)
InChIKeyOTZRBYNNRWOBRT-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.64
Rot. Bonds7

About 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide

2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 72786009) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID72786009
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCOCC(O)(CCC(C)=C(C)C)C1Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C19H28N2O3/c1-12(2)13(3)7-8-19(23,11-24-4)17-10-15-9-14(18(20)22)5-6-16(15)21-17/h5-6,9,17,21,23H,7-8,10-11H2,1-4H3,(H2,20,22)
InChIKeyOTZRBYNNRWOBRT-UHFFFAOYSA-N
XLogP2.64
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (CID 72786009) is 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is COCC(O)(CCC(C)=C(C)C)C1Cc2cc(C(N)=O)ccc2N1.
What is the InChIKey of 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is OTZRBYNNRWOBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(2)13(3)7-8-19(23,11-24-4)17-10-15-9-14(18(20)22)5-6-16(15)21-17/h5-6,9,17,21,23H,7-8,10-11H2,1-4H3,(H2,20,22).
What are the key properties of 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 72786009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).