N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide

C21H29ClN4O4 — CID 18230751

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide
SMILESCCCCN(C(=O)C(C)Oc1ccc(Cl)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H29ClN4O4/c1-4-6-12-25(20(28)14(3)30-16-10-8-15(22)9-11-16)17-18(23)26(13-7-5-2)21(29)24-19(17)27/h8-11,14H,4-7,12-13,23H2,1-3H3,(H,24,27,29)
InChIKeyMQIHIDKNWNLXAB-UHFFFAOYSA-N
MW436.94 g/mol
LogP3.17
Rot. Bonds10

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide (PubChem CID 18230751) has the molecular formula C21H29ClN4O4 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide
PubChem CID18230751
Molecular FormulaC21H29ClN4O4
Molecular Weight436.94 g/mol
Exact Mass436.19
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide
SMILESCCCCN(C(=O)C(C)Oc1ccc(Cl)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H29ClN4O4/c1-4-6-12-25(20(28)14(3)30-16-10-8-15(22)9-11-16)17-18(23)26(13-7-5-2)21(29)24-19(17)27/h8-11,14H,4-7,12-13,23H2,1-3H3,(H,24,27,29)
InChIKeyMQIHIDKNWNLXAB-UHFFFAOYSA-N
XLogP3.17
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 53.17
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-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide (CID 18230751) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide is CCCCN(C(=O)C(C)Oc1ccc(Cl)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide?
The InChIKey is MQIHIDKNWNLXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN4O4/c1-4-6-12-25(20(28)14(3)30-16-10-8-15(22)9-11-16)17-18(23)26(13-7-5-2)21(29)24-19(17)27/h8-11,14H,4-7,12-13,23H2,1-3H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide has a molecular weight of 436.94 g/mol, XLogP of 3.17, 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-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(4-chlorophenoxy)propanamide is sourced from PubChem (CID 18230751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).