N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide

C26H30N4O5 — CID 31496736

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN(C(=O)C2CCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C26H30N4O5/c1-34-20-12-11-17(15-21(20)35-2)13-14-29(25(32)19-9-6-10-19)22-23(27)30(26(33)28-24(22)31)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16,27H2,1-2H3,(H,28,31,33)
InChIKeyNYHWQBNMBFDCJK-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.56
Rot. Bonds9

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide (PubChem CID 31496736) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide
PubChem CID31496736
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide
SMILESCOc1ccc(CCN(C(=O)C2CCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C26H30N4O5/c1-34-20-12-11-17(15-21(20)35-2)13-14-29(25(32)19-9-6-10-19)22-23(27)30(26(33)28-24(22)31)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16,27H2,1-2H3,(H,28,31,33)
InChIKeyNYHWQBNMBFDCJK-UHFFFAOYSA-N
XLogP2.56
TPSA119.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)cyclobutanecarboxamide
CID 8800403
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclopropanecarboxamide
CID 26069674
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)oxolane-2-carboxamide
CID 55337617
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 26120716
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 16566521
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-piperidin-1-ylacetamide
CID 8894400
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 26120762
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-(difluoromethoxy)-3-methoxy-N-(2-methoxyethyl)benzamide
CID 26120344
(3S)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41082371
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylcyclohex-3-ene-1-carboxamide
CID 51151302
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3,5-dimethoxybenzamide
CID 2644398

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide (CID 31496736) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide is COc1ccc(CCN(C(=O)C2CCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide?
The InChIKey is NYHWQBNMBFDCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-34-20-12-11-17(15-21(20)35-2)13-14-29(25(32)19-9-6-10-19)22-23(27)30(26(33)28-24(22)31)16-18-7-4-3-5-8-18/h3-5,7-8,11-12,15,19H,6,9-10,13-14,16,27H2,1-2H3,(H,28,31,33).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide has a molecular weight of 478.55 g/mol, XLogP of 2.56, 9 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-[2-(3,4-dimethoxyphenyl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 31496736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).