N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide

C20H31N3O3 — CID 86827115

IUPACN'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCCN2CCCC(C)C2)c(C)c1
InChIInChI=1S/C20H31N3O3/c1-4-26-17-8-9-18(16(3)13-17)22-20(25)19(24)21-10-6-12-23-11-5-7-15(2)14-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRPKNVAKXAISDJC-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.57
Rot. Bonds7

About N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide

N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide (PubChem CID 86827115) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide
PubChem CID86827115
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCCN2CCCC(C)C2)c(C)c1
InChIInChI=1S/C20H31N3O3/c1-4-26-17-8-9-18(16(3)13-17)22-20(25)19(24)21-10-6-12-23-11-5-7-15(2)14-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyRPKNVAKXAISDJC-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dimethylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]thiourea
CID 133216801
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
N-(2,5-diethoxyphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 24564917
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
ethyl 2-chloro-5-[3-(3-methylpiperidin-1-yl)propylcarbamothioylamino]benzoate
CID 133216839
1-[4-ethoxy-2-(trifluoromethyl)phenyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
CID 60589064
N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039625
3-(methanesulfonamido)-4-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 55717869
N'-(3,4-difluorophenyl)-N'-ethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]oxamide
CID 52534442
N'-(4-ethyl-3-nitrophenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
CID 86997119
ethyl 2-chloro-4-[3-[(3R)-3-methylpiperidin-1-yl]propylcarbamothioylamino]benzoate
CID 100739477

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide?
The IUPAC name of N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide (CID 86827115) is N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide.
What is the SMILES notation for N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide?
The canonical SMILES for N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide is CCOc1ccc(NC(=O)C(=O)NCCCN2CCCC(C)C2)c(C)c1.
What is the InChIKey of N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide?
The InChIKey is RPKNVAKXAISDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-26-17-8-9-18(16(3)13-17)22-20(25)19(24)21-10-6-12-23-11-5-7-15(2)14-23/h8-9,13,15H,4-7,10-12,14H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide?
N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide has a molecular weight of 361.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]oxamide is sourced from PubChem (CID 86827115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).