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

C22H32N4O4 — CID 55339639

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)C(C)Oc2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H32N4O4/c1-6-7-12-25-19(23)18(20(27)24-22(25)29)26(13-14(2)3)21(28)16(5)30-17-10-8-15(4)9-11-17/h8-11,14,16H,6-7,12-13,23H2,1-5H3,(H,24,27,29)
InChIKeyMISUJVXOYPBPBB-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.68
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide (PubChem CID 55339639) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
PubChem CID55339639
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)C(C)Oc2ccc(C)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C22H32N4O4/c1-6-7-12-25-19(23)18(20(27)24-22(25)29)26(13-14(2)3)21(28)16(5)30-17-10-8-15(4)9-11-17/h8-11,14,16H,6-7,12-13,23H2,1-5H3,(H,24,27,29)
InChIKeyMISUJVXOYPBPBB-UHFFFAOYSA-N
XLogP2.68
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)propanamide
CID 26200665
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-tert-butylphenoxy)-N-(2-methoxyethyl)propanamide
CID 55360222
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenyl)sulfanyl-N-(2-methylpropyl)propanamide
CID 55525317
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 16550127
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
CID 8922762
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 51153903
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
(3R)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-[(4-methylphenyl)methyl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 26200543
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-methylphenoxy)-N-pentylbutanamide
CID 26205772

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide (CID 55339639) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide is CCCCn1c(N)c(N(CC(C)C)C(=O)C(C)Oc2ccc(C)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide?
The InChIKey is MISUJVXOYPBPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-6-7-12-25-19(23)18(20(27)24-22(25)29)26(13-14(2)3)21(28)16(5)30-17-10-8-15(4)9-11-17/h8-11,14,16H,6-7,12-13,23H2,1-5H3,(H,24,27,29).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide has a molecular weight of 416.52 g/mol, XLogP of 2.68, 9 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)-2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 55339639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).