N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide

C19H21N3O2 — CID 42685344

IUPACN-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(N(C)CC)=Nc1ccccc1O2
InChIInChI=1S/C19H21N3O2/c1-4-18(23)20-13-10-11-16-14(12-13)19(22(3)5-2)21-15-8-6-7-9-17(15)24-16/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKeyOBDWBQROLLUMAY-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.17
Rot. Bonds3

About N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide

N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide (PubChem CID 42685344) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide.

Molecular Properties

Compound NameN-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide
PubChem CID42685344
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)C(N(C)CC)=Nc1ccccc1O2
InChIInChI=1S/C19H21N3O2/c1-4-18(23)20-13-10-11-16-14(12-13)19(22(3)5-2)21-15-8-6-7-9-17(15)24-16/h6-12H,4-5H2,1-3H3,(H,20,23)
InChIKeyOBDWBQROLLUMAY-UHFFFAOYSA-N
XLogP4.17
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(diethylamino)benzo[b][1,4]benzoxazepin-8-yl]-3,5-dimethoxybenzamide
CID 46075062
methyl 3-oxo-3-[(6-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-8-yl)amino]propanoate
CID 42685305
N-[6-(4-ethylpiperazin-1-yl)benzo[b][1,4]benzoxazepin-8-yl]-3-methylbutanamide
CID 42685514
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(3,4-diphenylphenyl)propanamide
CID 151136333
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
N-(6-pyrrolidin-1-ylbenzo[b][1,4]benzoxazepin-8-yl)-2-thiophen-2-ylacetamide
CID 42685294
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
CID 4316551
2-ethoxy-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947309
2-(4-fluorophenyl)-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide
CID 40947389
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947113
N-(3-benzylphenyl)propanamide
CID 70797974

Frequently Asked Questions

What is the IUPAC name of N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide?
The IUPAC name of N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide (CID 42685344) is N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide.
What is the SMILES notation for N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide?
The canonical SMILES for N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide is CCC(=O)Nc1ccc2c(c1)C(N(C)CC)=Nc1ccccc1O2.
What is the InChIKey of N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide?
The InChIKey is OBDWBQROLLUMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-18(23)20-13-10-11-16-14(12-13)19(22(3)5-2)21-15-8-6-7-9-17(15)24-16/h6-12H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide?
N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide has a molecular weight of 323.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[ethyl(methyl)amino]benzo[b][1,4]benzoxazepin-8-yl]propanamide is sourced from PubChem (CID 42685344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).