7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C17H24N2O2 — CID 103556136

IUPAC7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOC1(CC(N)c2ccc3c(c2)CCCC(=O)N3)CCC1
InChIInChI=1S/C17H24N2O2/c1-21-17(8-3-9-17)11-14(18)12-6-7-15-13(10-12)4-2-5-16(20)19-15/h6-7,10,14H,2-5,8-9,11,18H2,1H3,(H,19,20)
InChIKeyVSGHZPAYOKEKAK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.92
Rot. Bonds4

About 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 103556136) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID103556136
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCOC1(CC(N)c2ccc3c(c2)CCCC(=O)N3)CCC1
InChIInChI=1S/C17H24N2O2/c1-21-17(8-3-9-17)11-14(18)12-6-7-15-13(10-12)4-2-5-16(20)19-15/h6-7,10,14H,2-5,8-9,11,18H2,1H3,(H,19,20)
InChIKeyVSGHZPAYOKEKAK-UHFFFAOYSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

7-(1-amino-3,3,3-trifluoropropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43165286
7-[(1R)-1-aminoethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 82759360
6-[1-amino-2-(1-methoxycyclobutyl)ethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 103556144
5-amino-3-methyl-5-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)pentanoic acid
CID 62942189
5-[1-(ethylamino)-2-(1-methoxycyclobutyl)ethyl]-1,3-dihydroindol-2-one
CID 103556239
methyl 3-amino-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanoate
CID 116940124
7-(1-bromopropyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61098978
7-[amino(cyclopentyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342875
7-[amino-(4-chlorophenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 43342872
7-(1-chlorobutyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086465
methyl 5-amino-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pentanoate
CID 60860810
7-[bromo-(4-methylphenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61096772

Frequently Asked Questions

What is the IUPAC name of 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 103556136) is 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is COC1(CC(N)c2ccc3c(c2)CCCC(=O)N3)CCC1.
What is the InChIKey of 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is VSGHZPAYOKEKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-17(8-3-9-17)11-14(18)12-6-7-15-13(10-12)4-2-5-16(20)19-15/h6-7,10,14H,2-5,8-9,11,18H2,1H3,(H,19,20).
What are the key properties of 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-amino-2-(1-methoxycyclobutyl)ethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 103556136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).