2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

C26H33N5O4 — CID 30282782

IUPAC2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H33N5O4/c1-17(2)12-13-30(16-22(32)28-20-14-18(3)10-11-21(20)35-4)23-24(27)31(26(34)29-25(23)33)15-19-8-6-5-7-9-19/h5-11,14,17H,12-13,15-16,27H2,1-4H3,(H,28,32)(H,29,33,34)
InChIKeyTYEMNIJSATZVFR-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.98
Rot. Bonds10

About 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 30282782) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID30282782
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C26H33N5O4/c1-17(2)12-13-30(16-22(32)28-20-14-18(3)10-11-21(20)35-4)23-24(27)31(26(34)29-25(23)33)15-19-8-6-5-7-9-19/h5-11,14,17H,12-13,15-16,27H2,1-4H3,(H,28,32)(H,29,33,34)
InChIKeyTYEMNIJSATZVFR-UHFFFAOYSA-N
XLogP2.98
TPSA122.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide with MolForge

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]acetamide
CID 16597172
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 16597002
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 55517470
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2,5-dimethoxyphenyl)acetamide
CID 30870975
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(4-phenylphenyl)acetamide
CID 55534656
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-bromophenyl)acetamide
CID 41332177
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methoxypropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 31035231
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2,2-diphenylacetamide
CID 4816328
2-[acetyl(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113166585
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 34651452
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-phenoxyacetamide
CID 4805512
(1S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2,2-dichloro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 31302792

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 30282782) is 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN(CCC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is TYEMNIJSATZVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-17(2)12-13-30(16-22(32)28-20-14-18(3)10-11-21(20)35-4)23-24(27)31(26(34)29-25(23)33)15-19-8-6-5-7-9-19/h5-11,14,17H,12-13,15-16,27H2,1-4H3,(H,28,32)(H,29,33,34).
What are the key properties of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 479.58 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(3-methylbutyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 30282782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).