2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide

C29H28N4O4 — CID 71590307

IUPAC2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C29H28N4O4/c1-3-30-18-25(34)31-22-12-9-20(10-13-22)26-28-27(33(15-16-36-2)29(35)32-26)23-17-21(11-14-24(23)37-28)19-7-5-4-6-8-19/h4-14,17,30H,3,15-16,18H2,1-2H3,(H,31,34)
InChIKeyBNTYIAAJFZIVQY-UHFFFAOYSA-N
MW496.57 g/mol
LogP4.67
Rot. Bonds9

About 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide

2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 71590307) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
PubChem CID71590307
Molecular FormulaC29H28N4O4
Molecular Weight496.57 g/mol
Exact Mass496.21
IUPAC Name2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
SMILESCCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4ccccc4)cc23)cc1
InChIInChI=1S/C29H28N4O4/c1-3-30-18-25(34)31-22-12-9-20(10-13-22)26-28-27(33(15-16-36-2)29(35)32-26)23-17-21(11-14-24(23)37-28)19-7-5-4-6-8-19/h4-14,17,30H,3,15-16,18H2,1-2H3,(H,31,34)
InChIKeyBNTYIAAJFZIVQY-UHFFFAOYSA-N
XLogP4.67
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(2-Dimethylaminoethyloxy)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535598
8-[4-(Dimethylaminomethyl)phenyl]-1,4-diphenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535682
8-[4-(Dimethylaminomethyl)phenyl]-1-pentyl-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535732
8-[4-(Dimethylaminomethyl)phenyl]-1-(4-nitrophenyl)-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535743
5-[8-[4-(Dimethylaminomethyl)phenyl]-2-oxo-4-phenyl-benzofuro[3,2-d]pyrimidin-1-yl]-2-methyl-benzonitrile
CID 59535840
N-[4-(2-morpholin-4-yl-4-oxo-1H-quinolin-8-yl)dibenzofuran-1-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 49856521
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590368
N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-yl-acetamide
CID 71602683
N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide
CID 71602684
1-(2-Methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]benzofuro[3,2-d]pyrimidin-2-one
CID 71602729
4-[4-(2-Dimethylaminoethyloxymethyl)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71602730
N-(2-dimethylaminoethyl)-4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]benzamide
CID 71602731

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide (CID 71590307) is 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide is CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(-c4ccccc4)cc23)cc1.
What is the InChIKey of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is BNTYIAAJFZIVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c1-3-30-18-25(34)31-22-12-9-20(10-13-22)26-28-27(33(15-16-36-2)29(35)32-26)23-17-21(11-14-24(23)37-28)19-7-5-4-6-8-19/h4-14,17,30H,3,15-16,18H2,1-2H3,(H,31,34).
What are the key properties of 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide?
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 496.57 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 71590307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).