4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide

C23H27NO3 — CID 140896313

IUPAC4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C3(O)CCC3)cc1)CCCCC2
InChIInChI=1S/C23H27NO3/c1-27-21-15-18-7-4-2-3-6-17(18)14-20(21)24-22(25)16-8-10-19(11-9-16)23(26)12-5-13-23/h8-11,14-15,26H,2-7,12-13H2,1H3,(H,24,25)
InChIKeyVZTNPLAMXNSNBC-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.59
Rot. Bonds4

About 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide

4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide (PubChem CID 140896313) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide
PubChem CID140896313
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C3(O)CCC3)cc1)CCCCC2
InChIInChI=1S/C23H27NO3/c1-27-21-15-18-7-4-2-3-6-17(18)14-20(21)24-22(25)16-8-10-19(11-9-16)23(26)12-5-13-23/h8-11,14-15,26H,2-7,12-13H2,1H3,(H,24,25)
InChIKeyVZTNPLAMXNSNBC-UHFFFAOYSA-N
XLogP4.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide?
The IUPAC name of 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide (CID 140896313) is 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide.
What is the SMILES notation for 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide?
The canonical SMILES for 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(C3(O)CCC3)cc1)CCCCC2.
What is the InChIKey of 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide?
The InChIKey is VZTNPLAMXNSNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-27-21-15-18-7-4-2-3-6-17(18)14-20(21)24-22(25)16-8-10-19(11-9-16)23(26)12-5-13-23/h8-11,14-15,26H,2-7,12-13H2,1H3,(H,24,25).
What are the key properties of 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide?
4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide has a molecular weight of 365.47 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclobutyl)-N-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)benzamide is sourced from PubChem (CID 140896313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).