N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide

C18H24N4O4 — CID 167821829

IUPACN,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide
SMILESCCC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C18H24N4O4/c1-5-13(19-15-10-16(23)22(4)18(25)20-15)12-8-6-7-9-14(12)26-11-17(24)21(2)3/h6-10,13,19H,5,11H2,1-4H3,(H,20,25)
InChIKeyCOLLKATYVFIQSA-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.10
Rot. Bonds7

About N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide

N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide (PubChem CID 167821829) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide
PubChem CID167821829
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide
SMILESCCC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C18H24N4O4/c1-5-13(19-15-10-16(23)22(4)18(25)20-15)12-8-6-7-9-14(12)26-11-17(24)21(2)3/h6-10,13,19H,5,11H2,1-4H3,(H,20,25)
InChIKeyCOLLKATYVFIQSA-UHFFFAOYSA-N
XLogP1.10
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide (CID 167821829) is N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide is CCC(Nc1cc(=O)n(C)c(=O)[nH]1)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide?
The InChIKey is COLLKATYVFIQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-5-13(19-15-10-16(23)22(4)18(25)20-15)12-8-6-7-9-14(12)26-11-17(24)21(2)3/h6-10,13,19H,5,11H2,1-4H3,(H,20,25).
What are the key properties of N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide?
N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide has a molecular weight of 360.41 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[1-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]propyl]phenoxy]acetamide is sourced from PubChem (CID 167821829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).