N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide

C20H22N2O5 — CID 99903134

IUPACN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@@H](O)c3ccc(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C20H22N2O5/c1-25-14-6-4-12-8-16(22-15(12)10-14)20(24)21-11-17(23)13-5-7-18(26-2)19(9-13)27-3/h4-10,17,22-23H,11H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyGQQFCCZZIIJHQK-QGZVFWFLSA-N
MW370.41 g/mol
LogP2.66
Rot. Bonds7

About N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide

N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide (PubChem CID 99903134) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
PubChem CID99903134
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NC[C@@H](O)c3ccc(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C20H22N2O5/c1-25-14-6-4-12-8-16(22-15(12)10-14)20(24)21-11-17(23)13-5-7-18(26-2)19(9-13)27-3/h4-10,17,22-23H,11H2,1-3H3,(H,21,24)/t17-/m1/s1
InChIKeyGQQFCCZZIIJHQK-QGZVFWFLSA-N
XLogP2.66
TPSA92.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 99873607
N-[[4-(1-hydroxyethyl)phenyl]methyl]-6-methoxy-1H-indole-2-carboxamide
CID 75417280
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
6-methoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 60515636
N-(2-amino-2-methylpropyl)-6-methoxy-1H-indole-2-carboxamide
CID 110833540
6-methoxy-N-(3-methoxypropyl)-1H-indole-2-carboxamide
CID 4905349
N-(2-benzamidoethyl)-6-methoxy-1H-indole-2-carboxamide
CID 134003045
4-chloro-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613299
N-[1-(2,4-dimethoxyphenyl)ethyl]-6-methoxy-1H-indole-2-carboxamide
CID 71897962
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
N-[(6-hydroxy-1,4-dithiepan-6-yl)methyl]-6-methoxy-1H-indole-2-carboxamide
CID 154576561
N-(1-aminopropan-2-yl)-6-methoxy-1H-indole-2-carboxamide
CID 110833539

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide (CID 99903134) is N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)NC[C@@H](O)c3ccc(OC)c(OC)c3)[nH]c2c1.
What is the InChIKey of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide?
The InChIKey is GQQFCCZZIIJHQK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-14-6-4-12-8-16(22-15(12)10-14)20(24)21-11-17(23)13-5-7-18(26-2)19(9-13)27-3/h4-10,17,22-23H,11H2,1-3H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide?
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-6-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 99903134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).