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

C23H40N4O3 — CID 18276569

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C23H40N4O3/c1-5-7-9-17-10-12-18(13-11-17)22(29)27(15-16(3)4)19-20(24)26(14-8-6-2)23(30)25-21(19)28/h16-18H,5-15,24H2,1-4H3,(H,25,28,30)
InChIKeyJPEVQTRGFLKLLW-UHFFFAOYSA-N
MW420.60 g/mol
LogP3.90
Rot. Bonds10

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide (PubChem CID 18276569) has the molecular formula C23H40N4O3 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
PubChem CID18276569
Molecular FormulaC23H40N4O3
Molecular Weight420.60 g/mol
Exact Mass420.31
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C23H40N4O3/c1-5-7-9-17-10-12-18(13-11-17)22(29)27(15-16(3)4)19-20(24)26(14-8-6-2)23(30)25-21(19)28/h16-18H,5-15,24H2,1-4H3,(H,25,28,30)
InChIKeyJPEVQTRGFLKLLW-UHFFFAOYSA-N
XLogP3.90
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide (CID 18276569) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CC(C)C)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide?
The InChIKey is JPEVQTRGFLKLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O3/c1-5-7-9-17-10-12-18(13-11-17)22(29)27(15-16(3)4)19-20(24)26(14-8-6-2)23(30)25-21(19)28/h16-18H,5-15,24H2,1-4H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 3.90, 10 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)-4-butyl-N-(2-methylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 18276569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).