N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide

C20H29N3O5 — CID 55973737

IUPACN-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2(NC(C)=O)CCCCC2)cc1
InChIInChI=1S/C20H29N3O5/c1-4-27-16-8-10-17(11-9-16)28-14(2)18(25)22-23-19(26)20(21-15(3)24)12-6-5-7-13-20/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWNZBHDIAZBTSRE-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.84
Rot. Bonds7

About N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide

N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide (PubChem CID 55973737) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide
PubChem CID55973737
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC NameN-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide
SMILESCCOc1ccc(OC(C)C(=O)NNC(=O)C2(NC(C)=O)CCCCC2)cc1
InChIInChI=1S/C20H29N3O5/c1-4-27-16-8-10-17(11-9-16)28-14(2)18(25)22-23-19(26)20(21-15(3)24)12-6-5-7-13-20/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyWNZBHDIAZBTSRE-UHFFFAOYSA-N
XLogP1.84
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide 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'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
(2R)-N'-(2-cyclopentylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 9343458
methyl 1-[2-(4-methoxyphenoxy)propanoylamino]cyclohexane-1-carboxylate
CID 46515245
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
CID 8679739
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
CID 8768164
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 78727477
(2R)-2-(4-ethoxyphenoxy)-N'-[2-(2-methylphenyl)acetyl]propanehydrazide
CID 8573981
N'-[2-(4-ethoxyphenoxy)propanoyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbohydrazide
CID 24625086

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide (CID 55973737) is N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide is CCOc1ccc(OC(C)C(=O)NNC(=O)C2(NC(C)=O)CCCCC2)cc1.
What is the InChIKey of N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide?
The InChIKey is WNZBHDIAZBTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-4-27-16-8-10-17(11-9-16)28-14(2)18(25)22-23-19(26)20(21-15(3)24)12-6-5-7-13-20/h8-11,14H,4-7,12-13H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide?
N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide has a molecular weight of 391.47 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]cyclohexyl]acetamide is sourced from PubChem (CID 55973737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).