N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide

C23H36N6O5 — CID 30971314

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H36N6O5/c1-3-5-9-14-27(17-18(24)28(13-6-4-2)21(33)25-19(17)31)16(30)10-15-29-20(32)23(26-22(29)34)11-7-8-12-23/h3-15,24H2,1-2H3,(H,26,34)(H,25,31,33)
InChIKeyLOWLHTUGHJMUAA-UHFFFAOYSA-N
MW476.58 g/mol
LogP1.70
Rot. Bonds11

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide (PubChem CID 30971314) has the molecular formula C23H36N6O5 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
PubChem CID30971314
Molecular FormulaC23H36N6O5
Molecular Weight476.58 g/mol
Exact Mass476.27
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide
SMILESCCCCCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C23H36N6O5/c1-3-5-9-14-27(17-18(24)28(13-6-4-2)21(33)25-19(17)31)16(30)10-15-29-20(32)23(26-22(29)34)11-7-8-12-23/h3-15,24H2,1-2H3,(H,26,34)(H,25,31,33)
InChIKeyLOWLHTUGHJMUAA-UHFFFAOYSA-N
XLogP1.70
TPSA150.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide (CID 30971314) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide is CCCCCN(C(=O)CCN1C(=O)NC2(CCCC2)C1=O)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide?
The InChIKey is LOWLHTUGHJMUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O5/c1-3-5-9-14-27(17-18(24)28(13-6-4-2)21(33)25-19(17)31)16(30)10-15-29-20(32)23(26-22(29)34)11-7-8-12-23/h3-15,24H2,1-2H3,(H,26,34)(H,25,31,33).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide has a molecular weight of 476.58 g/mol, XLogP of 1.70, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-pentylpropanamide is sourced from PubChem (CID 30971314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).