N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

C22H26N2O5 — CID 9369331

IUPACN-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5/c1-13(21(25)24-17-9-8-14-6-5-7-15(14)10-17)23-22(26)16-11-18(27-2)20(29-4)19(12-16)28-3/h8-13H,5-7H2,1-4H3,(H,23,26)(H,24,25)/t13-/m0/s1
InChIKeyCHPQHRSBSNMKLU-ZDUSSCGKSA-N
MW398.46 g/mol
LogP2.96
Rot. Bonds7

About N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide

N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 9369331) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID9369331
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC NameN-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5/c1-13(21(25)24-17-9-8-14-6-5-7-15(14)10-17)23-22(26)16-11-18(27-2)20(29-4)19(12-16)28-3/h8-13H,5-7H2,1-4H3,(H,23,26)(H,24,25)/t13-/m0/s1
InChIKeyCHPQHRSBSNMKLU-ZDUSSCGKSA-N
XLogP2.96
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-N-[(2S)-1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 9210823
(2R)-2-(4-acetyl-2-methoxyphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 8730672
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-3,5-dimethoxybenzamide
CID 45076841
N-(2,3-dihydro-1H-inden-5-yl)-2,3-dimethoxybenzamide
CID 26198866
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 42704155
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 16513388
[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-acetamidopropanoate
CID 45354771
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
N-[(2R)-1-(4-bromo-3-methylanilino)-3-methyl-1-oxobutan-2-yl]-3,4,5-trimethoxybenzamide
CID 41297249
3,4,5-trimethoxy-N-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)benzamide
CID 1163292
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide (CID 9369331) is N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC.
What is the InChIKey of N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is CHPQHRSBSNMKLU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-13(21(25)24-17-9-8-14-6-5-7-15(14)10-17)23-22(26)16-11-18(27-2)20(29-4)19(12-16)28-3/h8-13H,5-7H2,1-4H3,(H,23,26)(H,24,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide?
N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 398.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 9369331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).