N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide

C24H23N3O3 — CID 20909169

IUPACN-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NCc1ccccc1)C(=O)c1cccnc1O2
InChIInChI=1S/C24H23N3O3/c1-17-11-12-21-20(15-17)27(24(29)19-9-5-13-25-23(19)30-21)14-6-10-22(28)26-16-18-7-3-2-4-8-18/h2-5,7-9,11-13,15H,6,10,14,16H2,1H3,(H,26,28)
InChIKeyNICTXBPBARTURD-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.24
Rot. Bonds6

About N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide

N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide (PubChem CID 20909169) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide.

Molecular Properties

Compound NameN-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide
PubChem CID20909169
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide
SMILESCc1ccc2c(c1)N(CCCC(=O)NCc1ccccc1)C(=O)c1cccnc1O2
InChIInChI=1S/C24H23N3O3/c1-17-11-12-21-20(15-17)27(24(29)19-9-5-13-25-23(19)30-21)14-6-10-22(28)26-16-18-7-3-2-4-8-18/h2-5,7-9,11-13,15H,6,10,14,16H2,1H3,(H,26,28)
InChIKeyNICTXBPBARTURD-UHFFFAOYSA-N
XLogP4.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(4-propoxyphenyl)methyl]butanamide
CID 20909195
3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 46275520
N-[2-(cyclohexen-1-yl)ethyl]-3-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)propanamide
CID 46275526
2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
CID 20908997
N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
4-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 20909159
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
5-[2-(benzylamino)ethyl]-3-methylbenzo[b][1,4]benzoxazepin-6-one
CID 164683056
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
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 N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide?
The IUPAC name of N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide (CID 20909169) is N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide.
What is the SMILES notation for N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide?
The canonical SMILES for N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide is Cc1ccc2c(c1)N(CCCC(=O)NCc1ccccc1)C(=O)c1cccnc1O2.
What is the InChIKey of N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide?
The InChIKey is NICTXBPBARTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-11-12-21-20(15-17)27(24(29)19-9-5-13-25-23(19)30-21)14-6-10-22(28)26-16-18-7-3-2-4-8-18/h2-5,7-9,11-13,15H,6,10,14,16H2,1H3,(H,26,28).
What are the key properties of N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide?
N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide has a molecular weight of 401.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)butanamide is sourced from PubChem (CID 20909169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).