N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide

C20H22N2O2 — CID 123445942

IUPACN-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O2/c1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15/h4-14,22H,1-3H3,(H,21,23)
InChIKeyCMMTUWRETMDKKG-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.45
Rot. Bonds5

About N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide

N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide (PubChem CID 123445942) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
PubChem CID123445942
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
SMILESCC(C)Oc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O2/c1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15/h4-14,22H,1-3H3,(H,21,23)
InChIKeyCMMTUWRETMDKKG-UHFFFAOYSA-N
XLogP4.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7322417
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
5-fluoro-N-[(1R)-1-(3-fluorophenyl)ethyl]-1H-indole-2-carboxamide
CID 25487390
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
5-phenoxy-N-(4-phenylbutan-2-yl)-1H-indole-2-carboxamide
CID 3921208
5-chloro-4-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 123567229

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide (CID 123445942) is N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide is CC(C)Oc1ccc2[nH]c(C(=O)NC(C)c3ccccc3)cc2c1.
What is the InChIKey of N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide?
The InChIKey is CMMTUWRETMDKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(2)24-17-9-10-18-16(11-17)12-19(22-18)20(23)21-14(3)15-7-5-4-6-8-15/h4-14,22H,1-3H3,(H,21,23).
What are the key properties of N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide?
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide is sourced from PubChem (CID 123445942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).