N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C18H23N3O5 — CID 166184194

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cn(C)c(=O)[nH]c2=O)ccc1OC(C)C
InChIInChI=1S/C18H23N3O5/c1-10(2)26-14-7-6-12(8-15(14)25-5)11(3)19-16(22)13-9-21(4)18(24)20-17(13)23/h6-11H,1-5H3,(H,19,22)(H,20,23,24)
InChIKeyHNFVHCQPAGRCHP-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.36
Rot. Bonds6

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 166184194) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID166184194
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cn(C)c(=O)[nH]c2=O)ccc1OC(C)C
InChIInChI=1S/C18H23N3O5/c1-10(2)26-14-7-6-12(8-15(14)25-5)11(3)19-16(22)13-9-21(4)18(24)20-17(13)23/h6-11H,1-5H3,(H,19,22)(H,20,23,24)
InChIKeyHNFVHCQPAGRCHP-UHFFFAOYSA-N
XLogP1.36
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 55653906
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 55671575
(2R)-2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 119288204
4-(aminomethyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 119288200
2-chloro-N-[1-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55653743
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55691117
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55653823
2-chloro-5-(dimethylsulfamoyl)-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]benzamide
CID 55653587
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
2-chloro-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46448530
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 166184194) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is COc1cc(C(C)NC(=O)c2cn(C)c(=O)[nH]c2=O)ccc1OC(C)C.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is HNFVHCQPAGRCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-10(2)26-14-7-6-12(8-15(14)25-5)11(3)19-16(22)13-9-21(4)18(24)20-17(13)23/h6-11H,1-5H3,(H,19,22)(H,20,23,24).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 166184194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).