3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide

C24H23N3O3 — CID 46275520

IUPAC3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCN2C(=O)c3cccnc3Oc3ccc(C)cc32)c1
InChIInChI=1S/C24H23N3O3/c1-16-5-3-6-18(13-16)15-26-22(28)10-12-27-20-14-17(2)8-9-21(20)30-23-19(24(27)29)7-4-11-25-23/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28)
InChIKeyBGOUGLNYXBEYLO-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.16
Rot. Bonds5

About 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide

3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 46275520) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID46275520
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCN2C(=O)c3cccnc3Oc3ccc(C)cc32)c1
InChIInChI=1S/C24H23N3O3/c1-16-5-3-6-18(13-16)15-26-22(28)10-12-27-20-14-17(2)8-9-21(20)30-23-19(24(27)29)7-4-11-25-23/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28)
InChIKeyBGOUGLNYXBEYLO-UHFFFAOYSA-N
XLogP4.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide with MolForge

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Related Compounds

N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide
CID 20909169
4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(4-propoxyphenyl)methyl]butanamide
CID 20909195
N-[2-(cyclohexen-1-yl)ethyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)propanamide
CID 46275526
N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908990
6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-8-methylpyrido[2,3-b][1,5]benzoxazepin-5-one
CID 46275545
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
CID 20908997
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 20909064
3-(1,3-dioxoisoindol-2-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]propanamide
CID 90596248
5-[2-(benzylamino)ethyl]-3-methylbenzo[b][1,4]benzoxazepin-6-one
CID 164683056
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetic acid
CID 20887664
N-benzyl-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanamide
CID 6625355

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide (CID 46275520) is 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCN2C(=O)c3cccnc3Oc3ccc(C)cc32)c1.
What is the InChIKey of 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is BGOUGLNYXBEYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-16-5-3-6-18(13-16)15-26-22(28)10-12-27-20-14-17(2)8-9-21(20)30-23-19(24(27)29)7-4-11-25-23/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,26,28).
What are the key properties of 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide?
3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 401.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 46275520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).