N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide

C19H26N2O2 — CID 110498914

IUPACN-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)N(C)CCO)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C19H26N2O2/c1-6-9-21-17-8-7-15(13(2)3)12-16(17)14(4)18(21)19(23)20(5)10-11-22/h6-8,12-13,22H,1,9-11H2,2-5H3
InChIKeyFPEQPFRAHRQUSH-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.32
Rot. Bonds6

About N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide

N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide (PubChem CID 110498914) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
PubChem CID110498914
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
SMILESC=CCn1c(C(=O)N(C)CCO)c(C)c2cc(C(C)C)ccc21
InChIInChI=1S/C19H26N2O2/c1-6-9-21-17-8-7-15(13(2)3)12-16(17)14(4)18(21)19(23)20(5)10-11-22/h6-8,12-13,22H,1,9-11H2,2-5H3
InChIKeyFPEQPFRAHRQUSH-UHFFFAOYSA-N
XLogP3.32
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(2-hydroxyethyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110498884
3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoic acid
CID 110498942
3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)-propylamino]propanoic acid
CID 110498943
N-[2-(diethylamino)ethyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497608
ethyl 3-[ethyl-(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]propanoate
CID 110498940
N-[(4-chlorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497639
N-[(2-fluorophenyl)methyl]-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110497642
N-(3,4-difluorophenyl)-3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide
CID 110501995
(2-methylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1-prop-2-enylindol-2-yl)methanone
CID 110498899
methyl 3-[(3-methyl-5-propan-2-yl-1-prop-2-enylindole-2-carbonyl)amino]thiophene-2-carboxylate
CID 110502035
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxamide
CID 110497659
3-methyl-5-propan-2-yl-1-prop-2-enyl-N-[2-(4-sulfamoylphenyl)ethyl]indole-2-carboxamide
CID 110497638

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide (CID 110498914) is N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide is C=CCn1c(C(=O)N(C)CCO)c(C)c2cc(C(C)C)ccc21.
What is the InChIKey of N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
The InChIKey is FPEQPFRAHRQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-6-9-21-17-8-7-15(13(2)3)12-16(17)14(4)18(21)19(23)20(5)10-11-22/h6-8,12-13,22H,1,9-11H2,2-5H3.
What are the key properties of N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide?
N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,3-dimethyl-5-propan-2-yl-1-prop-2-enylindole-2-carboxamide is sourced from PubChem (CID 110498914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).