N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide

C16H19N3O4 — CID 163965782

IUPACN-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCCCc1ccc(O)cc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O4/c20-13-7-5-12(6-8-13)4-2-1-3-10-17-15(22)19-11-9-14(21)18-16(19)23/h5-9,11,20H,1-4,10H2,(H,17,22)(H,18,21,23)
InChIKeySLPOCSAOUBGTNN-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.21
Rot. Bonds6

About N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide

N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 163965782) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide
PubChem CID163965782
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide
SMILESO=C(NCCCCCc1ccc(O)cc1)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C16H19N3O4/c20-13-7-5-12(6-8-13)4-2-1-3-10-17-15(22)19-11-9-14(21)18-16(19)23/h5-9,11,20H,1-4,10H2,(H,17,22)(H,18,21,23)
InChIKeySLPOCSAOUBGTNN-UHFFFAOYSA-N
XLogP1.21
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,4-dioxo-1-(7-phenylheptylcarbamoyl)pyrimidin-5-yl] acetate
CID 162666025
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
5-[benzyl(methyl)amino]-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654887

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide (CID 163965782) is N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide is O=C(NCCCCCc1ccc(O)cc1)n1ccc(=O)[nH]c1=O.
What is the InChIKey of N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is SLPOCSAOUBGTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-13-7-5-12(6-8-13)4-2-1-3-10-17-15(22)19-11-9-14(21)18-16(19)23/h5-9,11,20H,1-4,10H2,(H,17,22)(H,18,21,23).
What are the key properties of N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide?
N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxyphenyl)pentyl]-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 163965782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).