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

C23H40N4O3 — CID 24816780

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCCC)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C23H40N4O3/c1-4-7-10-17-11-13-18(14-12-17)22(29)26(15-8-5-2)19-20(24)27(16-9-6-3)23(30)25-21(19)28/h17-18H,4-16,24H2,1-3H3,(H,25,28,30)
InChIKeyMFGUMQDQSZWCCQ-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.05
Rot. Bonds11

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide (PubChem CID 24816780) 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)-N,4-dibutylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide
PubChem CID24816780
Molecular FormulaC23H40N4O3
Molecular Weight420.60 g/mol
Exact Mass420.31
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(CCCC)c2c(N)n(CCCC)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C23H40N4O3/c1-4-7-10-17-11-13-18(14-12-17)22(29)26(15-8-5-2)19-20(24)27(16-9-6-3)23(30)25-21(19)28/h17-18H,4-16,24H2,1-3H3,(H,25,28,30)
InChIKeyMFGUMQDQSZWCCQ-UHFFFAOYSA-N
XLogP4.05
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.05
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)-N,4-dibutylcyclohexane-1-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide (CID 24816780) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(CCCC)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)-N,4-dibutylcyclohexane-1-carboxamide?
The InChIKey is MFGUMQDQSZWCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O3/c1-4-7-10-17-11-13-18(14-12-17)22(29)26(15-8-5-2)19-20(24)27(16-9-6-3)23(30)25-21(19)28/h17-18H,4-16,24H2,1-3H3,(H,25,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,4-dibutylcyclohexane-1-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 4.05, 11 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,4-dibutylcyclohexane-1-carboxamide is sourced from PubChem (CID 24816780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).