N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C25H26N4O5 — CID 26119770

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCCCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N4O5/c1-2-3-13-28(20(30)14-19-17-11-7-8-12-18(17)24(32)34-19)21-22(26)29(25(33)27-23(21)31)15-16-9-5-4-6-10-16/h4-12,19H,2-3,13-15,26H2,1H3,(H,27,31,33)/t19-/m0/s1
InChIKeyNDBZFYCNZSBNLC-IBGZPJMESA-N
MW462.51 g/mol
LogP2.60
Rot. Bonds8

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 26119770) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID26119770
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCCCCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C25H26N4O5/c1-2-3-13-28(20(30)14-19-17-11-7-8-12-18(17)24(32)34-19)21-22(26)29(25(33)27-23(21)31)15-16-9-5-4-6-10-16/h4-12,19H,2-3,13-15,26H2,1H3,(H,27,31,33)/t19-/m0/s1
InChIKeyNDBZFYCNZSBNLC-IBGZPJMESA-N
XLogP2.60
TPSA127.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 26211171
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 24979911
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 24980854
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 40942446
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,6-dichlorophenyl)acetamide
CID 4816310
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylphenoxy)acetamide
CID 4805502
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-methylanilino)acetamide
CID 26416357
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethylbenzamide
CID 4816306
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-chlorobenzamide
CID 4791007
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2,4-dichlorophenoxy)acetamide
CID 4805501
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 52895438

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 26119770) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is CCCCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is NDBZFYCNZSBNLC-IBGZPJMESA-N. The full InChI is InChI=1S/C25H26N4O5/c1-2-3-13-28(20(30)14-19-17-11-7-8-12-18(17)24(32)34-19)21-22(26)29(25(33)27-23(21)31)15-16-9-5-4-6-10-16/h4-12,19H,2-3,13-15,26H2,1H3,(H,27,31,33)/t19-/m0/s1.
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 462.51 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 26119770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).