3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen

C20H40N2O5 — CID 169159088

IUPAC3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
SMILESCCOCCC(=O)NCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C20H36N2O5.2H2/c1-4-26-12-9-18(23)21-11-14-27-13-10-19(24)22-17-7-5-16(6-8-17)20(25)15(2)3;;/h15-17H,4-14H2,1-3H3,(H,21,23)(H,22,24);2*1H
InChIKeyWDLMVYQJPBAXMO-UHFFFAOYSA-N
MW388.55 g/mol
LogP2.33
Rot. Bonds13

About 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen

3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen (PubChem CID 169159088) has the molecular formula C20H40N2O5 and a molecular weight of 388.55 g/mol. Its IUPAC name is 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
PubChem CID169159088
Molecular FormulaC20H40N2O5
Molecular Weight388.55 g/mol
Exact Mass388.29
IUPAC Name3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
SMILESCCOCCC(=O)NCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1.[H][H].[H][H]
InChIInChI=1S/C20H36N2O5.2H2/c1-4-26-12-9-18(23)21-11-14-27-13-10-19(24)22-17-7-5-16(6-8-17)20(25)15(2)3;;/h15-17H,4-14H2,1-3H3,(H,21,23)(H,22,24);2*1H
InChIKeyWDLMVYQJPBAXMO-UHFFFAOYSA-N
XLogP2.33
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen 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-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
N-[4-(2-methylpropanoyl)cyclohexyl]-4-[3-(2-methylpropoxy)propoxy]butanamide;molecular hydrogen
CID 167464298
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen
CID 167464225
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
N-[4-(2-methylbutylamino)-4-oxobutyl]-N'-[4-(2-methylpropanoyl)cyclohexyl]pentanediamide
CID 167464295

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen?
The IUPAC name of 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen (CID 169159088) is 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen.
What is the SMILES notation for 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen?
The canonical SMILES for 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen is CCOCCC(=O)NCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1.[H][H].[H][H].
What is the InChIKey of 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen?
The InChIKey is WDLMVYQJPBAXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O5.2H2/c1-4-26-12-9-18(23)21-11-14-27-13-10-19(24)22-17-7-5-16(6-8-17)20(25)15(2)3;;/h15-17H,4-14H2,1-3H3,(H,21,23)(H,22,24);2*1H.
What are the key properties of 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen?
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen has a molecular weight of 388.55 g/mol, XLogP of 2.33, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen is sourced from PubChem (CID 169159088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).