N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide

C18H23N3O4 — CID 4200810

IUPACN-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)COc2ccccc21)NC1CCCCNC1=O
InChIInChI=1S/C18H23N3O4/c22-16(20-13-6-3-4-10-19-18(13)24)9-5-11-21-14-7-1-2-8-15(14)25-12-17(21)23/h1-2,7-8,13H,3-6,9-12H2,(H,19,24)(H,20,22)
InChIKeyRMVDVRBPIJFYGM-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.98
Rot. Bonds5

About N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide

N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide (PubChem CID 4200810) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
PubChem CID4200810
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESO=C(CCCN1C(=O)COc2ccccc21)NC1CCCCNC1=O
InChIInChI=1S/C18H23N3O4/c22-16(20-13-6-3-4-10-19-18(13)24)9-5-11-21-14-7-1-2-8-15(14)25-12-17(21)23/h1-2,7-8,13H,3-6,9-12H2,(H,19,24)(H,20,22)
InChIKeyRMVDVRBPIJFYGM-UHFFFAOYSA-N
XLogP0.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 95311839
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-oxopiperidin-3-yl)propanamide
CID 71935640
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
CID 84599618
3-(3-oxo-1,4-benzoxazin-4-yl)-N-piperidin-4-ylpropanamide
CID 119389632
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 26011956
N-[(1S,2R)-2-methylcyclohexyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 6938468
N-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidine-2-carboxamide
CID 119333214
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942
N-(3-cyclopentylpropyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 38857092
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
N-(3-methylbutyl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42787992

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide (CID 4200810) is N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide is O=C(CCCN1C(=O)COc2ccccc21)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
The InChIKey is RMVDVRBPIJFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16(20-13-6-3-4-10-19-18(13)24)9-5-11-21-14-7-1-2-8-15(14)25-12-17(21)23/h1-2,7-8,13H,3-6,9-12H2,(H,19,24)(H,20,22).
What are the key properties of N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide?
N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide has a molecular weight of 345.40 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide is sourced from PubChem (CID 4200810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).