N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide

C20H22N2O2 — CID 36753631

IUPACN,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2cc3cc(C)ccc3[nH]2)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-4-6-17(12-14)24-10-9-22(3)20(23)19-13-16-11-15(2)7-8-18(16)21-19/h4-8,11-13,21H,9-10H2,1-3H3
InChIKeyLXNMKOOMLWXDNG-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.94
Rot. Bonds5

About N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide

N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide (PubChem CID 36753631) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
PubChem CID36753631
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
SMILESCc1cccc(OCCN(C)C(=O)c2cc3cc(C)ccc3[nH]2)c1
InChIInChI=1S/C20H22N2O2/c1-14-5-4-6-17(12-14)24-10-9-22(3)20(23)19-13-16-11-15(2)7-8-18(16)21-19/h4-8,11-13,21H,9-10H2,1-3H3
InChIKeyLXNMKOOMLWXDNG-UHFFFAOYSA-N
XLogP3.94
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
4-fluoro-N-methyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 31401161
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N,5-dimethyl-N-[(4-prop-2-enoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 35688068
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
5-bromo-N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]thiophene-2-carboxamide
CID 79987863
2,2-dimethyl-N-[2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-2-oxoethyl]propanamide
CID 31666859
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide (CID 36753631) is N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide is Cc1cccc(OCCN(C)C(=O)c2cc3cc(C)ccc3[nH]2)c1.
What is the InChIKey of N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LXNMKOOMLWXDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-4-6-17(12-14)24-10-9-22(3)20(23)19-13-16-11-15(2)7-8-18(16)21-19/h4-8,11-13,21H,9-10H2,1-3H3.
What are the key properties of N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide?
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 36753631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).