N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide

C18H24N2O3 — CID 46973352

IUPACN-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
SMILESCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2
InChIInChI=1S/C18H24N2O3/c1-12-4-5-16-15(10-12)17(22)19-11-18(23-16)8-6-14(7-9-18)20(3)13(2)21/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyCPXVJMGMFBRHMY-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.28
Rot. Bonds1

About N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide

N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide (PubChem CID 46973352) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
PubChem CID46973352
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide
SMILESCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2
InChIInChI=1S/C18H24N2O3/c1-12-4-5-16-15(10-12)17(22)19-11-18(23-16)8-6-14(7-9-18)20(3)13(2)21/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,22)
InChIKeyCPXVJMGMFBRHMY-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)-1,2-oxazole-4-carboxamide
CID 46973346
N-methyl-3-(5-methyltetrazol-1-yl)-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)propanamide
CID 46973331
2-(7-methyl-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)-N-propan-2-ylpropanamide
CID 110213097
N-methyl-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)methanesulfonamide
CID 46973309
N-methyl-3-[(2S)-oxolan-2-yl]-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)propanamide
CID 51598759
2-(7-methyl-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)-N-prop-2-enylpropanamide
CID 110213089
1'-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-7-methylspiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-2',5-dione
CID 110213101
7-chloro-N-(4-methylcyclohexyl)-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-carboxamide
CID 92583794
7-chlorospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-oxane]-5-one
CID 73440590
7-chloro-4'-(3-oxopiperazine-1-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclohexane]-5-one
CID 92571870
N-(furan-2-ylmethyl)-2-(7-methyl-2',5-dioxospiro[3,4-dihydro-1,4-benzoxazepine-2,5'-azepane]-1'-yl)propanamide
CID 110213088
4-chloro-N-methyl-N-(5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)benzenesulfonamide
CID 95850846

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
The IUPAC name of N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide (CID 46973352) is N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide.
What is the SMILES notation for N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
The canonical SMILES for N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide is CC(=O)N(C)C1CCC2(CC1)CNC(=O)c1cc(C)ccc1O2.
What is the InChIKey of N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
The InChIKey is CPXVJMGMFBRHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12-4-5-16-15(10-12)17(22)19-11-18(23-16)8-6-14(7-9-18)20(3)13(2)21/h4-5,10,14H,6-9,11H2,1-3H3,(H,19,22).
What are the key properties of N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide?
N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(7-methyl-5-oxospiro[3,4-dihydro-1,4-benzoxazepine-2,4'-cyclohexane]-1'-yl)acetamide is sourced from PubChem (CID 46973352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).