(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone

C20H28N2O2 — CID 3714114

IUPAC(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone
SMILESCC1CC2(CCCC2)N(C(=O)N2CCOCC2)Cc2ccccc21
InChIInChI=1S/C20H28N2O2/c1-16-14-20(8-4-5-9-20)22(15-17-6-2-3-7-18(16)17)19(23)21-10-12-24-13-11-21/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyNBARAQXTAHHYBB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.76
Rot. Bonds

About (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone

(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone (PubChem CID 3714114) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone
PubChem CID3714114
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone
SMILESCC1CC2(CCCC2)N(C(=O)N2CCOCC2)Cc2ccccc21
InChIInChI=1S/C20H28N2O2/c1-16-14-20(8-4-5-9-20)22(15-17-6-2-3-7-18(16)17)19(23)21-10-12-24-13-11-21/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyNBARAQXTAHHYBB-UHFFFAOYSA-N
XLogP3.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone?
The IUPAC name of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone (CID 3714114) is (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone is CC1CC2(CCCC2)N(C(=O)N2CCOCC2)Cc2ccccc21.
What is the InChIKey of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone?
The InChIKey is NBARAQXTAHHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-14-20(8-4-5-9-20)22(15-17-6-2-3-7-18(16)17)19(23)21-10-12-24-13-11-21/h2-3,6-7,16H,4-5,8-15H2,1H3.
What are the key properties of (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone?
(5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone has a molecular weight of 328.46 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylspiro[4,5-dihydro-1H-2-benzazepine-3,1'-cyclopentane]-2-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3714114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).