1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide

C20H22N2O5 — CID 34258783

IUPAC1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-12(23)22-8-7-13-9-14(5-6-16(13)22)20(24)21-15-10-17(25-2)19(27-4)18(11-15)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)
InChIKeyWRCAFLHFCLZLNI-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.87
Rot. Bonds5

About 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide

1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide (PubChem CID 34258783) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
PubChem CID34258783
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-12(23)22-8-7-13-9-14(5-6-16(13)22)20(24)21-15-10-17(25-2)19(27-4)18(11-15)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,24)
InChIKeyWRCAFLHFCLZLNI-UHFFFAOYSA-N
XLogP2.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 51265763
1-[(1-acetyl-2,3-dihydroindol-5-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 53089926
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
2-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 119254151
1-[3-(1-acetyl-2,3-dihydroindol-5-yl)-4,5-dimethoxyphenyl]ethanone
CID 110447754
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
1-acetyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,3-dihydroindole-5-carboxamide
CID 36538459
3-[4-[(1-acetyl-2,3-dihydroindole-5-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541330
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide (CID 34258783) is 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide is COc1cc(NC(=O)c2ccc3c(c2)CCN3C(C)=O)cc(OC)c1OC.
What is the InChIKey of 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is WRCAFLHFCLZLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-12(23)22-8-7-13-9-14(5-6-16(13)22)20(24)21-15-10-17(25-2)19(27-4)18(11-15)26-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,24).
What are the key properties of 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide?
1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 34258783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).