N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide

C21H22N2O2 — CID 35688068

IUPACN,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2cc3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C21H22N2O2/c1-4-11-25-18-8-6-16(7-9-18)14-23(3)21(24)20-13-17-12-15(2)5-10-19(17)22-20/h4-10,12-13,22H,1,11,14H2,2-3H3
InChIKeyDESKOILBTXTJHI-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.31
Rot. Bonds6

About N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide

N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 35688068) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID35688068
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide
SMILESC=CCOc1ccc(CN(C)C(=O)c2cc3cc(C)ccc3[nH]2)cc1
InChIInChI=1S/C21H22N2O2/c1-4-11-25-18-8-6-16(7-9-18)14-23(3)21(24)20-13-17-12-15(2)5-10-19(17)22-20/h4-10,12-13,22H,1,11,14H2,2-3H3
InChIKeyDESKOILBTXTJHI-UHFFFAOYSA-N
XLogP4.31
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide (CID 35688068) is N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide is C=CCOc1ccc(CN(C)C(=O)c2cc3cc(C)ccc3[nH]2)cc1.
What is the InChIKey of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is DESKOILBTXTJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-4-11-25-18-8-6-16(7-9-18)14-23(3)21(24)20-13-17-12-15(2)5-10-19(17)22-20/h4-10,12-13,22H,1,11,14H2,2-3H3.
What are the key properties of N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide?
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 35688068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).