N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide

C22H35N3O3 — CID 3511652

IUPACN-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCN1C(=O)COc2ccc(C)cc21
InChIInChI=1S/C22H35N3O3/c1-5-24(6-2)13-7-9-18(4)23-21(26)10-8-14-25-19-15-17(3)11-12-20(19)28-16-22(25)27/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,23,26)
InChIKeyBTYSMWFHPIRVMO-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.13
Rot. Bonds11

About N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide

N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide (PubChem CID 3511652) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
PubChem CID3511652
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
SMILESCCN(CC)CCCC(C)NC(=O)CCCN1C(=O)COc2ccc(C)cc21
InChIInChI=1S/C22H35N3O3/c1-5-24(6-2)13-7-9-18(4)23-21(26)10-8-14-25-19-15-17(3)11-12-20(19)28-16-22(25)27/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,23,26)
InChIKeyBTYSMWFHPIRVMO-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(diethylamino)pentan-2-yl]-4-[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]butanamide
CID 3708750
N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 5047623
4-hexyl-6-methyl-1,4-benzoxazin-3-one
CID 143253505
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 4104320
4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
CID 4653840
4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39163215
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-morpholin-4-ylpropyl)butanamide
CID 3252883
4-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one
CID 20887570
N-(2-bromo-4,6-difluorophenyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 20887617
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 20887616
N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide (CID 3511652) is N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide is CCN(CC)CCCC(C)NC(=O)CCCN1C(=O)COc2ccc(C)cc21.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
The InChIKey is BTYSMWFHPIRVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-5-24(6-2)13-7-9-18(4)23-21(26)10-8-14-25-19-15-17(3)11-12-20(19)28-16-22(25)27/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,23,26).
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide?
N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide has a molecular weight of 389.54 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide is sourced from PubChem (CID 3511652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).