N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide

C20H25N3O3 — CID 36962711

IUPACN-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)NCCNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-15-8-9-18(16(2)14-15)26-13-12-23-20(25)22-11-10-21-19(24)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyOSHGGWKADXDIBP-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds8

About N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide

N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide (PubChem CID 36962711) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
PubChem CID36962711
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)NCCNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C20H25N3O3/c1-15-8-9-18(16(2)14-15)26-13-12-23-20(25)22-11-10-21-19(24)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,21,24)(H2,22,23,25)
InChIKeyOSHGGWKADXDIBP-UHFFFAOYSA-N
XLogP2.41
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
N-[2-(2,4-dimethylphenoxy)ethyl]-2-hydroxybenzamide
CID 31448668
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
1-[2-(dimethylamino)ethyl]-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973611
N-[3-[2-(2,4-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 8531999
3-(diethylsulfamoyl)-N-[2-(2,4-dimethylphenoxy)ethyl]benzamide
CID 9194405
N-[2-(2,4-dimethylphenoxy)ethyl]-2-phenylsulfanylacetamide
CID 26446526
1-(3-bromo-4-methylphenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973708
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
N-[2-(2,4-dimethylphenoxy)ethyl]-2-(2-fluorophenoxy)acetamide
CID 9011621
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
1-(4-chlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973699

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide?
The IUPAC name of N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide (CID 36962711) is N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide is Cc1ccc(OCCNC(=O)NCCNC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide?
The InChIKey is OSHGGWKADXDIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-15-8-9-18(16(2)14-15)26-13-12-23-20(25)22-11-10-21-19(24)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,21,24)(H2,22,23,25).
What are the key properties of N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide?
N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-dimethylphenoxy)ethylcarbamoylamino]ethyl]benzamide is sourced from PubChem (CID 36962711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).