N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

C16H17N3O4 — CID 135948826

IUPACN-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCOc1ccc2oc3c(=O)[nH]c(NC(=O)C(C)(C)C)nc3c2c1
InChIInChI=1S/C16H17N3O4/c1-16(2,3)14(21)19-15-17-11-9-7-8(22-4)5-6-10(9)23-12(11)13(20)18-15/h5-7H,1-4H3,(H2,17,18,19,20,21)
InChIKeyZTBNOHOACJQLBD-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.66
Rot. Bonds2

About N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide

N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide (PubChem CID 135948826) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
PubChem CID135948826
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
SMILESCOc1ccc2oc3c(=O)[nH]c(NC(=O)C(C)(C)C)nc3c2c1
InChIInChI=1S/C16H17N3O4/c1-16(2,3)14(21)19-15-17-11-9-7-8(22-4)5-6-10(9)23-12(11)13(20)18-15/h5-7H,1-4H3,(H2,17,18,19,20,21)
InChIKeyZTBNOHOACJQLBD-UHFFFAOYSA-N
XLogP2.66
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993
1,4-dihydroxy-7-methoxyxanthen-9-one
CID 15819467
acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 172762962
N-[2-acetamido-5-[2-(2,5-dimethoxyanilino)ethyl]-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 135547465
2-(2,2-dimethylpropanoylamino)-5-methoxybenzenesulfonic acid
CID 121003501
6-methoxy-4-propan-2-yl-1,3-benzoxazin-2-one
CID 142239429
2-(ethylamino)-6-methoxy-3H-quinazolin-4-one
CID 137287759
3-(2,2-dimethylpropanoylamino)-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 3241060
methyl 1-[(4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 135735068
[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl] acetate
CID 68949362
N-[2-(3-methoxybenzoyl)-3-methyl-1-benzofuran-5-yl]-2,2-dimethylpropanamide
CID 16825907
methyl 3-(6-methoxy-4-oxo-1,3-benzoxazin-2-yl)benzoate
CID 67890566

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide (CID 135948826) is N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide is COc1ccc2oc3c(=O)[nH]c(NC(=O)C(C)(C)C)nc3c2c1.
What is the InChIKey of N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
The InChIKey is ZTBNOHOACJQLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-16(2,3)14(21)19-15-17-11-9-7-8(22-4)5-6-10(9)23-12(11)13(20)18-15/h5-7H,1-4H3,(H2,17,18,19,20,21).
What are the key properties of N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide?
N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide has a molecular weight of 315.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-4-oxo-3H-[1]benzofuro[3,2-d]pyrimidin-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 135948826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).