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

C18H26N2O2 — CID 139585722

IUPAC(2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)=C(C)CCC(C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C18H26N2O2/c1-11(2)12(3)7-8-18(4,22)16-10-14-9-13(17(19)21)5-6-15(14)20-16/h5-6,9,16,20,22H,7-8,10H2,1-4H3,(H2,19,21)/t16-,18?/m1/s1
InChIKeyDNEIBKUDDSXUHC-PYUWXLGESA-N
MW302.42 g/mol
LogP3.01
Rot. Bonds5

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

(2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 139585722) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID139585722
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)=C(C)CCC(C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C18H26N2O2/c1-11(2)12(3)7-8-18(4,22)16-10-14-9-13(17(19)21)5-6-15(14)20-16/h5-6,9,16,20,22H,7-8,10H2,1-4H3,(H2,19,21)/t16-,18?/m1/s1
InChIKeyDNEIBKUDDSXUHC-PYUWXLGESA-N
XLogP3.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 72786009
(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxamide
CID 10471969
(2R,3R)-2-(3,4-dimethylpent-3-enyl)-3-hydroxy-2-(methoxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 15433304
2-(hydroxymethyl)-2,3-dihydro-1H-indole-6-carboxamide
CID 130040098
2,2-dimethyl-1,3-dihydroindole-5-carboxamide
CID 174931902
6a,7,12,12a-tetrahydro-6H-chromeno[4,3-b]quinoline-9-carboxamide
CID 69219851
2-(2,3-dihydro-1H-indol-2-yl)heptan-2-ol
CID 80558775
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
(2S)-2-pentadecyl-2,3-dihydro-1H-indole-5-carboxylic acid
CID 70487224
(3R)-3-methyl-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 130658829
(3R)-3-amino-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
CID 131173194
3-amino-4-[2-[cyclopropyl(methyl)amino]ethylamino]benzamide
CID 62976085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide (CID 139585722) is (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is CC(C)=C(C)CCC(C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1.
What is the InChIKey of (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is DNEIBKUDDSXUHC-PYUWXLGESA-N. The full InChI is InChI=1S/C18H26N2O2/c1-11(2)12(3)7-8-18(4,22)16-10-14-9-13(17(19)21)5-6-15(14)20-16/h5-6,9,16,20,22H,7-8,10H2,1-4H3,(H2,19,21)/t16-,18?/m1/s1.
What are the key properties of (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide?
(2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxy-5,6-dimethylhept-5-en-2-yl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 139585722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).