4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide

C17H20ClN3O4 — CID 3981746

IUPAC4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H20ClN3O4/c1-11-9-12(18)6-7-13(11)25-8-4-5-15(22)19-14-10-16(23)21(3)17(24)20(14)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,22)
InChIKeyKVYMQCACWHVGOK-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.84
Rot. Bonds6

About 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide

4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide (PubChem CID 3981746) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide
PubChem CID3981746
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)Nc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C17H20ClN3O4/c1-11-9-12(18)6-7-13(11)25-8-4-5-15(22)19-14-10-16(23)21(3)17(24)20(14)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,22)
InChIKeyKVYMQCACWHVGOK-UHFFFAOYSA-N
XLogP1.84
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide 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-(4-bromophenyl)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4174963
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725
4-(4-chloro-2-methylphenoxy)-N-(4-phenyldiazenylphenyl)butanamide
CID 4640199
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
CID 2148511
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide (CID 3981746) is 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide?
The InChIKey is KVYMQCACWHVGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c1-11-9-12(18)6-7-13(11)25-8-4-5-15(22)19-14-10-16(23)21(3)17(24)20(14)2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,22).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide has a molecular weight of 365.82 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)butanamide is sourced from PubChem (CID 3981746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).