N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide

C24H30N2O4 — CID 86887813

IUPACN-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2
InChIInChI=1S/C24H30N2O4/c1-16(18-8-6-7-9-20(18)29-5)14-22(27)25-17-10-11-21-19(15-17)26(12-13-30-21)23(28)24(2,3)4/h6-11,15-16H,12-14H2,1-5H3,(H,25,27)
InChIKeyATENRROFJRNMRS-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide

N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide (PubChem CID 86887813) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide
PubChem CID86887813
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide
SMILESCOc1ccccc1C(C)CC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2
InChIInChI=1S/C24H30N2O4/c1-16(18-8-6-7-9-20(18)29-5)14-22(27)25-17-10-11-21-19(15-17)26(12-13-30-21)23(28)24(2,3)4/h6-11,15-16H,12-14H2,1-5H3,(H,25,27)
InChIKeyATENRROFJRNMRS-UHFFFAOYSA-N
XLogP4.60
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetamide
CID 55918861
2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
3-[(dimethylamino)methyl]-N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1-benzofuran-2-carboxamide
CID 86950120
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 110639921
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49162446
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]pyrrolidine-2-carboxamide
CID 119299910
1-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-(2,2-dimethylpropyl)urea
CID 110747559
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521341
1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one
CID 55917833
2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 55918860
2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55919117
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide?
The IUPAC name of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide (CID 86887813) is N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide.
What is the SMILES notation for N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide?
The canonical SMILES for N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide is COc1ccccc1C(C)CC(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CCO2.
What is the InChIKey of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide?
The InChIKey is ATENRROFJRNMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-16(18-8-6-7-9-20(18)29-5)14-22(27)25-17-10-11-21-19(15-17)26(12-13-30-21)23(28)24(2,3)4/h6-11,15-16H,12-14H2,1-5H3,(H,25,27).
What are the key properties of N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide?
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide has a molecular weight of 410.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 86887813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).