N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide

C22H38N4O4 — CID 25161539

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C22H38N4O4/c1-5-6-7-16-8-10-17(11-9-16)21(28)25(12-13-30-4)18-19(23)26(14-15(2)3)22(29)24-20(18)27/h15-17H,5-14,23H2,1-4H3,(H,24,27,29)
InChIKeyPDDBJQDWIBAATI-UHFFFAOYSA-N
MW422.57 g/mol
LogP2.75
Rot. Bonds10

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide (PubChem CID 25161539) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
PubChem CID25161539
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C22H38N4O4/c1-5-6-7-16-8-10-17(11-9-16)21(28)25(12-13-30-4)18-19(23)26(14-15(2)3)22(29)24-20(18)27/h15-17H,5-14,23H2,1-4H3,(H,24,27,29)
InChIKeyPDDBJQDWIBAATI-UHFFFAOYSA-N
XLogP2.75
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide (CID 25161539) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
The InChIKey is PDDBJQDWIBAATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O4/c1-5-6-7-16-8-10-17(11-9-16)21(28)25(12-13-30-4)18-19(23)26(14-15(2)3)22(29)24-20(18)27/h15-17H,5-14,23H2,1-4H3,(H,24,27,29).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-butyl-N-(2-methoxyethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 25161539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).