1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

C19H27N3O2 — CID 127247906

IUPAC1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H27N3O2/c1-20-19(24)17-12-21(2)8-9-22(13-17)18(23)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,17H,3-5,8-9,11-13H2,1-2H3,(H,20,24)
InChIKeyVPNBSLGIXPGFSE-UHFFFAOYSA-N
MW329.44 g/mol
LogP0.85
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide (PubChem CID 127247906) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
PubChem CID127247906
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H27N3O2/c1-20-19(24)17-12-21(2)8-9-22(13-17)18(23)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,17H,3-5,8-9,11-13H2,1-2H3,(H,20,24)
InChIKeyVPNBSLGIXPGFSE-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide with MolForge

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Related Compounds

methyl 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733683
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
(6S)-1-[2-(2-methoxy-5-methylphenyl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124969966
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775126
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110804573
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
N-tert-butyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813828
N,1-dimethyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepane-6-carboxamide
CID 110107458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide (CID 127247906) is 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(C)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
The InChIKey is VPNBSLGIXPGFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20-19(24)17-12-21(2)8-9-22(13-17)18(23)11-14-6-7-15-4-3-5-16(15)10-14/h6-7,10,17H,3-5,8-9,11-13H2,1-2H3,(H,20,24).
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide?
1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 127247906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).