4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide

C22H26N2O3 — CID 146200157

IUPAC4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C3(O)CCC3)cc1)CCCCN2
InChIInChI=1S/C22H26N2O3/c1-27-20-14-18-16(5-2-3-12-23-18)13-19(20)24-21(25)15-6-8-17(9-7-15)22(26)10-4-11-22/h6-9,13-14,23,26H,2-5,10-12H2,1H3,(H,24,25)
InChIKeyHEORPQPKRISXGU-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.07
Rot. Bonds4

About 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide

4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide (PubChem CID 146200157) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide.

Molecular Properties

Compound Name4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
PubChem CID146200157
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccc(C3(O)CCC3)cc1)CCCCN2
InChIInChI=1S/C22H26N2O3/c1-27-20-14-18-16(5-2-3-12-23-18)13-19(20)24-21(25)15-6-8-17(9-7-15)22(26)10-4-11-22/h6-9,13-14,23,26H,2-5,10-12H2,1H3,(H,24,25)
InChIKeyHEORPQPKRISXGU-UHFFFAOYSA-N
XLogP4.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The IUPAC name of 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide (CID 146200157) is 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide.
What is the SMILES notation for 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The canonical SMILES for 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide is COc1cc2c(cc1NC(=O)c1ccc(C3(O)CCC3)cc1)CCCCN2.
What is the InChIKey of 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
The InChIKey is HEORPQPKRISXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-14-18-16(5-2-3-12-23-18)13-19(20)24-21(25)15-6-8-17(9-7-15)22(26)10-4-11-22/h6-9,13-14,23,26H,2-5,10-12H2,1H3,(H,24,25).
What are the key properties of 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide?
4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 4.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxycyclobutyl)-N-(8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)benzamide is sourced from PubChem (CID 146200157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).