N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide

C24H29N5O5 — CID 39768831

IUPACN-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)CCCNC(=O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O5/c1-2-3-14-28-21(25)20(23(32)27-24(28)33)29(16-18-11-8-15-34-18)19(30)12-7-13-26-22(31)17-9-5-4-6-10-17/h4-6,8-11,15H,2-3,7,12-14,16,25H2,1H3,(H,26,31)(H,27,32,33)
InChIKeyAVSSSEHIIMBINY-UHFFFAOYSA-N
MW467.53 g/mol
LogP2.26
Rot. Bonds11

About N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide

N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide (PubChem CID 39768831) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide
PubChem CID39768831
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC NameN-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide
SMILESCCCCn1c(N)c(N(Cc2ccco2)C(=O)CCCNC(=O)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C24H29N5O5/c1-2-3-14-28-21(25)20(23(32)27-24(28)33)29(16-18-11-8-15-34-18)19(30)12-7-13-26-22(31)17-9-5-4-6-10-17/h4-6,8-11,15H,2-3,7,12-14,16,25H2,1H3,(H,26,31)(H,27,32,33)
InChIKeyAVSSSEHIIMBINY-UHFFFAOYSA-N
XLogP2.26
TPSA143.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenylsulfanylbutanamide
CID 26195819
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylphenyl)acetamide
CID 30846728
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 26195847
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-tert-butyl-N-(furan-2-ylmethyl)benzamide
CID 26195848
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-butylsulfanyl-N-(furan-2-ylmethyl)acetamide
CID 30842008
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-phenoxybenzamide
CID 26195852
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 38908007
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34806420
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(furan-2-ylmethyl)-3-(2-methylprop-2-enyl)thiourea
CID 9093726
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(3,5-dimethylpyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 30659791
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(furan-2-ylmethyl)acetamide
CID 17403772
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 8917753

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide (CID 39768831) is N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide is CCCCn1c(N)c(N(Cc2ccco2)C(=O)CCCNC(=O)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide?
The InChIKey is AVSSSEHIIMBINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5/c1-2-3-14-28-21(25)20(23(32)27-24(28)33)29(16-18-11-8-15-34-18)19(30)12-7-13-26-22(31)17-9-5-4-6-10-17/h4-6,8-11,15H,2-3,7,12-14,16,25H2,1H3,(H,26,31)(H,27,32,33).
What are the key properties of N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide?
N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide has a molecular weight of 467.53 g/mol, XLogP of 2.26, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 39768831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).