N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide

C24H32N4O4 — CID 3557772

IUPACN-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOCCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N1CCC(C)CC1
InChIInChI=1S/C24H32N4O4/c1-17-9-12-28(13-10-17)22-8-7-19(16-21(22)23(29)25-11-14-31-2)27-24(30)26-18-5-4-6-20(15-18)32-3/h4-8,15-17H,9-14H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyGCOWZZWTFVFQOX-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.95
Rot. Bonds8

About N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide

N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 3557772) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID3557772
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC NameN-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide
SMILESCOCCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N1CCC(C)CC1
InChIInChI=1S/C24H32N4O4/c1-17-9-12-28(13-10-17)22-8-7-19(16-21(22)23(29)25-11-14-31-2)27-24(30)26-18-5-4-6-20(15-18)32-3/h4-8,15-17H,9-14H2,1-3H3,(H,25,29)(H2,26,27,30)
InChIKeyGCOWZZWTFVFQOX-UHFFFAOYSA-N
XLogP3.95
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5188732
N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)-5-[(2-phenoxyacetyl)amino]benzamide
CID 4579884
5-[(4-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 1067260
5-[(3,5-dimethoxyphenyl)carbamoylamino]-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4672722
5-(cyclobutanecarbonylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757193
5-(3,3-dimethylbutanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3721229
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 42757196
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide (CID 3557772) is N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide is COCCNC(=O)c1cc(NC(=O)Nc2cccc(OC)c2)ccc1N1CCC(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is GCOWZZWTFVFQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-17-9-12-28(13-10-17)22-8-7-19(16-21(22)23(29)25-11-14-31-2)27-24(30)26-18-5-4-6-20(15-18)32-3/h4-8,15-17H,9-14H2,1-3H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide?
N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 440.54 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3-methoxyphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 3557772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).