N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide

C21H24N2O3 — CID 55671575

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc3ccccc3[nH]2)ccc1OC(C)C
InChIInChI=1S/C21H24N2O3/c1-13(2)26-19-10-9-15(12-20(19)25-4)14(3)22-21(24)18-11-16-7-5-6-8-17(16)23-18/h5-14,23H,1-4H3,(H,22,24)
InChIKeyLCBRWIHBWXAEPQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.45
Rot. Bonds6

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide (PubChem CID 55671575) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
PubChem CID55671575
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc3ccccc3[nH]2)ccc1OC(C)C
InChIInChI=1S/C21H24N2O3/c1-13(2)26-19-10-9-15(12-20(19)25-4)14(3)22-21(24)18-11-16-7-5-6-8-17(16)23-18/h5-14,23H,1-4H3,(H,22,24)
InChIKeyLCBRWIHBWXAEPQ-UHFFFAOYSA-N
XLogP4.45
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 9162190
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
2-(difluoromethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 56561224
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-5-fluoro-1H-indole-2-carboxamide
CID 46414828
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
N-(1-phenylethyl)-5-propan-2-yloxy-1H-indole-2-carboxamide
CID 123445942
N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 78853112
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166184194
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200
2-chloro-6-fluoro-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 34240994

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide (CID 55671575) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide is COc1cc(C(C)NC(=O)c2cc3ccccc3[nH]2)ccc1OC(C)C.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is LCBRWIHBWXAEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-13(2)26-19-10-9-15(12-20(19)25-4)14(3)22-21(24)18-11-16-7-5-6-8-17(16)23-18/h5-14,23H,1-4H3,(H,22,24).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 55671575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).