N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide

C19H26N4O4 — CID 4792116

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)COc2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-6-10-23-17(20)16(18(25)21-19(23)26)22(5-2)15(24)12-27-14-9-7-8-13(3)11-14/h7-9,11H,4-6,10,12,20H2,1-3H3,(H,21,25,26)
InChIKeyMLKZMNRGXYUCCR-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.66
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide (PubChem CID 4792116) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
PubChem CID4792116
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide
SMILESCCCCn1c(N)c(N(CC)C(=O)COc2cccc(C)c2)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-4-6-10-23-17(20)16(18(25)21-19(23)26)22(5-2)15(24)12-27-14-9-7-8-13(3)11-14/h7-9,11H,4-6,10,12,20H2,1-3H3,(H,21,25,26)
InChIKeyMLKZMNRGXYUCCR-UHFFFAOYSA-N
XLogP1.66
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 30725123
methyl 4-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethoxy]benzoate
CID 9019525
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-phenoxyphenoxy)-N-propylacetamide
CID 16594294
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenoxy)-N-ethylacetamide
CID 27930614
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 42989497
[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 9290627
3-[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(furan-2-ylmethyl)amino]-2-oxoethoxy]benzamide
CID 55985379
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)-2-(3-methylphenoxy)propanamide
CID 16550127
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-naphthalen-2-yloxyacetamide
CID 16614219
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 31492108
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide (CID 4792116) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide is CCCCn1c(N)c(N(CC)C(=O)COc2cccc(C)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide?
The InChIKey is MLKZMNRGXYUCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-4-6-10-23-17(20)16(18(25)21-19(23)26)22(5-2)15(24)12-27-14-9-7-8-13(3)11-14/h7-9,11H,4-6,10,12,20H2,1-3H3,(H,21,25,26).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-(3-methylphenoxy)acetamide has a molecular weight of 374.44 g/mol, XLogP of 1.66, 8 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-ethyl-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 4792116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).