N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide

C12H16N2O2 — CID 20706258

IUPACN-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide
SMILESCc1ccc2c(c1)CN(N(C)C=O)CCO2
InChIInChI=1S/C12H16N2O2/c1-10-3-4-12-11(7-10)8-14(5-6-16-12)13(2)9-15/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeySLRQECUEULRHAB-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.19
Rot. Bonds2

About N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide

N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide (PubChem CID 20706258) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide.

Molecular Properties

Compound NameN-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide
PubChem CID20706258
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide
SMILESCc1ccc2c(c1)CN(N(C)C=O)CCO2
InChIInChI=1S/C12H16N2O2/c1-10-3-4-12-11(7-10)8-14(5-6-16-12)13(2)9-15/h3-4,7,9H,5-6,8H2,1-2H3
InChIKeySLRQECUEULRHAB-UHFFFAOYSA-N
XLogP1.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide 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

2-amino-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203488
3-chloro-1-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 121203486
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
7-methyl-4-(2-phenylethyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 20706253
4,6-dimethyl-2,3-dihydro-1,4-benzoxazine;ethane
CID 90795245
3-[(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoic acid
CID 122034197
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
ethane;7-methyl-2,3,4,5-tetrahydro-1-benzoxepine
CID 143911353
3,4-dihydro-1H-isochromen-1-yl-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 126808039
7-methyl-N-(5-methyloxolan-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 128917408
N-[3-[(1R)-1-methoxyethyl]phenyl]-7-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 125458978
N,N,6-trimethyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110639196

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide?
The IUPAC name of N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide (CID 20706258) is N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide.
What is the SMILES notation for N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide?
The canonical SMILES for N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide is Cc1ccc2c(c1)CN(N(C)C=O)CCO2.
What is the InChIKey of N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide?
The InChIKey is SLRQECUEULRHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10-3-4-12-11(7-10)8-14(5-6-16-12)13(2)9-15/h3-4,7,9H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide?
N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide has a molecular weight of 220.27 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(7-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)formamide is sourced from PubChem (CID 20706258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).