N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide

C22H24N2O2 — CID 67417202

IUPACN',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
SMILESNC(=O)CCC(=O)N([C@@H]1CCc2ccccc21)[C@@H]1CCc2ccccc21
InChIInChI=1S/C22H24N2O2/c23-21(25)13-14-22(26)24(19-11-9-15-5-1-3-7-17(15)19)20-12-10-16-6-2-4-8-18(16)20/h1-8,19-20H,9-14H2,(H2,23,25)/t19-,20-/m1/s1
InChIKeyZFDFJZMTOLXBAS-WOJBJXKFSA-N
MW348.45 g/mol
LogP3.46
Rot. Bonds5

About N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide

N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide (PubChem CID 67417202) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide.

Molecular Properties

Compound NameN',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
PubChem CID67417202
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide
SMILESNC(=O)CCC(=O)N([C@@H]1CCc2ccccc21)[C@@H]1CCc2ccccc21
InChIInChI=1S/C22H24N2O2/c23-21(25)13-14-22(26)24(19-11-9-15-5-1-3-7-17(15)19)20-12-10-16-6-2-4-8-18(16)20/h1-8,19-20H,9-14H2,(H2,23,25)/t19-,20-/m1/s1
InChIKeyZFDFJZMTOLXBAS-WOJBJXKFSA-N
XLogP3.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide 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-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)propanamide
CID 119299896
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
7-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanamide;hydrochloride
CID 119728149
2-(4-aminophenyl)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119742610
4-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-methoxybutanamide;hydrochloride
CID 120589829
4-amino-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide;hydrochloride
CID 120560475
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
3-(2-aminophenyl)-N-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120609184
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propanoic acid
CID 83985074
2,2,2-trifluoroethyl N-(2,3-dihydro-1H-inden-1-yl)-N-methylcarbamate
CID 61067994
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87131302
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217

Frequently Asked Questions

What is the IUPAC name of N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide?
The IUPAC name of N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide (CID 67417202) is N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide.
What is the SMILES notation for N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide?
The canonical SMILES for N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide is NC(=O)CCC(=O)N([C@@H]1CCc2ccccc21)[C@@H]1CCc2ccccc21.
What is the InChIKey of N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide?
The InChIKey is ZFDFJZMTOLXBAS-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24N2O2/c23-21(25)13-14-22(26)24(19-11-9-15-5-1-3-7-17(15)19)20-12-10-16-6-2-4-8-18(16)20/h1-8,19-20H,9-14H2,(H2,23,25)/t19-,20-/m1/s1.
What are the key properties of N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide?
N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide has a molecular weight of 348.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[(1R)-2,3-dihydro-1H-inden-1-yl]butanediamide is sourced from PubChem (CID 67417202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).