2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide

C20H17N3O2 — CID 2969438

IUPAC2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide
SMILESO=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-18(21-14-8-2-1-3-9-14)12-17-20(25)23-16-11-5-7-13-6-4-10-15(22-17)19(13)16/h1-11,17,22H,12H2,(H,21,24)(H,23,25)
InChIKeyBHTGFUWVWVMWPV-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.60
Rot. Bonds3

About 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide

2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide (PubChem CID 2969438) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide
PubChem CID2969438
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide
SMILESO=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-18(21-14-8-2-1-3-9-14)12-17-20(25)23-16-11-5-7-13-6-4-10-15(22-17)19(13)16/h1-11,17,22H,12H2,(H,21,24)(H,23,25)
InChIKeyBHTGFUWVWVMWPV-UHFFFAOYSA-N
XLogP3.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 72712337
(2S)-2-(methylamino)-N-[(3S)-1-[(2-methylnaphthalen-1-yl)methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]propanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide?
The IUPAC name of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide (CID 2969438) is 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide?
The canonical SMILES for 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide is O=C(CC1Nc2cccc3cccc(c23)NC1=O)Nc1ccccc1.
What is the InChIKey of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide?
The InChIKey is BHTGFUWVWVMWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-18(21-14-8-2-1-3-9-14)12-17-20(25)23-16-11-5-7-13-6-4-10-15(22-17)19(13)16/h1-11,17,22H,12H2,(H,21,24)(H,23,25).
What are the key properties of 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide?
2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide has a molecular weight of 331.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-oxo-10,13-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaen-11-yl)-N-phenylacetamide is sourced from PubChem (CID 2969438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).