N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide

C23H32N4O3 — CID 30846943

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)Cc2ccc3c(c2)CCC3)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N4O3/c1-4-5-11-26-21(24)20(22(29)25-23(26)30)27(14-15(2)3)19(28)13-16-9-10-17-7-6-8-18(17)12-16/h9-10,12,15H,4-8,11,13-14,24H2,1-3H3,(H,25,29,30)
InChIKeyLXTNNBGIUAYDOI-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.64
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide (PubChem CID 30846943) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide
PubChem CID30846943
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)Cc2ccc3c(c2)CCC3)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N4O3/c1-4-5-11-26-21(24)20(22(29)25-23(26)30)27(14-15(2)3)19(28)13-16-9-10-17-7-6-8-18(17)12-16/h9-10,12,15H,4-8,11,13-14,24H2,1-3H3,(H,25,29,30)
InChIKeyLXTNNBGIUAYDOI-UHFFFAOYSA-N
XLogP2.64
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26200710
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-cyclopentyl-N-(2-methylpropyl)acetamide
CID 18084090
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-(2-methylpropyl)butanamide
CID 2393558
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2,5-difluoro-N-(2-methylpropyl)benzamide
CID 55376996
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,3-dichlorophenyl)-N-(2-methylpropyl)propanamide
CID 38909026
N-[3-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-3-oxopropyl]-2-chlorobenzamide
CID 24687547

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide (CID 30846943) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide is CCCCn1c(N)c(N(CC(C)C)C(=O)Cc2ccc3c(c2)CCC3)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is LXTNNBGIUAYDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-4-5-11-26-21(24)20(22(29)25-23(26)30)27(14-15(2)3)19(28)13-16-9-10-17-7-6-8-18(17)12-16/h9-10,12,15H,4-8,11,13-14,24H2,1-3H3,(H,25,29,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 30846943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).