N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

C29H38N2O3 — CID 76682532

IUPACN-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C(=O)c1ccc(OCC2CCCO2)cc1)C1Cc2ccc(CN3CCCCCC3)cc2C1
InChIInChI=1S/C29H38N2O3/c1-30(29(32)23-10-12-27(13-11-23)34-21-28-7-6-16-33-28)26-18-24-9-8-22(17-25(24)19-26)20-31-14-4-2-3-5-15-31/h8-13,17,26,28H,2-7,14-16,18-21H2,1H3
InChIKeyPZXQZDTYNQMWJI-UHFFFAOYSA-N
MW462.63 g/mol
LogP4.86
Rot. Bonds7

About N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide

N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 76682532) has the molecular formula C29H38N2O3 and a molecular weight of 462.63 g/mol. Its IUPAC name is N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID76682532
Molecular FormulaC29H38N2O3
Molecular Weight462.63 g/mol
Exact Mass462.29
IUPAC NameN-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C(=O)c1ccc(OCC2CCCO2)cc1)C1Cc2ccc(CN3CCCCCC3)cc2C1
InChIInChI=1S/C29H38N2O3/c1-30(29(32)23-10-12-27(13-11-23)34-21-28-7-6-16-33-28)26-18-24-9-8-22(17-25(24)19-26)20-31-14-4-2-3-5-15-31/h8-13,17,26,28H,2-7,14-16,18-21H2,1H3
InChIKeyPZXQZDTYNQMWJI-UHFFFAOYSA-N
XLogP4.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.63
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide with MolForge

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Related Compounds

4-(cyclopropylmethoxy)-N-methyl-N-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]benzamide
CID 58062389
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2R)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25190242
4-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 25164161
4-(cyclopropylmethoxy)-N-methyl-N-[6-[(oxolan-2-ylmethylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680744
6-[[(2S)-oxolan-2-yl]methoxy]-2-[(2R)-5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-3,4-dihydroisoquinolin-1-one
CID 46892784
N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 46662287
N-[(2S)-6-[[4-(2-hydroxypropan-2-yl)piperidin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505798
N-[(2R)-5-[(cyclopentylmethylamino)methyl]-2,3-dihydro-1H-inden-2-yl]-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 58062327
4-(4-fluorophenyl)-N-methyl-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054855
5-butoxy-N-methyl-N-[5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]pyridine-2-carboxamide
CID 76682548
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide (CID 76682532) is N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is CN(C(=O)c1ccc(OCC2CCCO2)cc1)C1Cc2ccc(CN3CCCCCC3)cc2C1.
What is the InChIKey of N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is PZXQZDTYNQMWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O3/c1-30(29(32)23-10-12-27(13-11-23)34-21-28-7-6-16-33-28)26-18-24-9-8-22(17-25(24)19-26)20-31-14-4-2-3-5-15-31/h8-13,17,26,28H,2-7,14-16,18-21H2,1H3.
What are the key properties of N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide?
N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 462.63 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 76682532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).