N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide

C22H30N4O3 — CID 8839087

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide
SMILESCCCCn1c(N)c(N(C(=O)c2cc(C)cc(C)c2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N4O3/c1-4-5-10-25-19(23)18(20(27)24-22(25)29)26(17-8-6-7-9-17)21(28)16-12-14(2)11-15(3)13-16/h11-13,17H,4-10,23H2,1-3H3,(H,24,27,29)
InChIKeyNOLLBNUWMUVINN-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.13
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide (PubChem CID 8839087) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide
PubChem CID8839087
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide
SMILESCCCCn1c(N)c(N(C(=O)c2cc(C)cc(C)c2)C2CCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C22H30N4O3/c1-4-5-10-25-19(23)18(20(27)24-22(25)29)26(17-8-6-7-9-17)21(28)16-12-14(2)11-15(3)13-16/h11-13,17H,4-10,23H2,1-3H3,(H,24,27,29)
InChIKeyNOLLBNUWMUVINN-UHFFFAOYSA-N
XLogP3.13
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
2-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylamino]-2-oxoethoxy]benzamide
CID 27912308
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-cyanophenoxy)-N-cyclopentylacetamide
CID 8839103
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682293
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 8620707
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 55411600
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-propylcyclobutanecarboxamide
CID 8839038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 24649317
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentylcyclopentanecarboxamide
CID 8838842
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24501209
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)-N-benzylcyclobutanecarboxamide
CID 8914359

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide (CID 8839087) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide is CCCCn1c(N)c(N(C(=O)c2cc(C)cc(C)c2)C2CCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide?
The InChIKey is NOLLBNUWMUVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-4-5-10-25-19(23)18(20(27)24-22(25)29)26(17-8-6-7-9-17)21(28)16-12-14(2)11-15(3)13-16/h11-13,17H,4-10,23H2,1-3H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-3,5-dimethylbenzamide has a molecular weight of 398.51 g/mol, XLogP of 3.13, 6 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)-N-cyclopentyl-3,5-dimethylbenzamide is sourced from PubChem (CID 8839087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).