N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C16H21N3O4 — CID 50978093

IUPACN-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H21N3O4/c1-4-5-8-19(11-12-7-6-9-23-12)15(21)13-10-14(20)18(3)16(22)17(13)2/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyOEYSKHIZTZMNRI-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.12
Rot. Bonds6

About N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 50978093) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID50978093
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C16H21N3O4/c1-4-5-8-19(11-12-7-6-9-23-12)15(21)13-10-14(20)18(3)16(22)17(13)2/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyOEYSKHIZTZMNRI-UHFFFAOYSA-N
XLogP1.12
TPSA77.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
N-butyl-N-(furan-2-ylmethyl)-3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 53209322
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 46986640
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-2-methylpropanamide
CID 3620431
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923929
N-butyl-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 4002712
3-[furan-2-ylmethyl(pentanoyl)amino]propanoic acid
CID 82323491
4-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-1-methylpyrrole-2-carboxamide
CID 60701981
2-[butyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4546809
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 50978093) is N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is CCCCN(Cc1ccco1)C(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is OEYSKHIZTZMNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-4-5-8-19(11-12-7-6-9-23-12)15(21)13-10-14(20)18(3)16(22)17(13)2/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 50978093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).