4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide

C18H32N2O5 — CID 169158474

IUPAC4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
SMILESCCOCCC(=O)NC1CCC(C(=O)NCCOCC(=O)CC)CC1
InChIInChI=1S/C18H32N2O5/c1-3-16(21)13-25-12-10-19-18(23)14-5-7-15(8-6-14)20-17(22)9-11-24-4-2/h14-15H,3-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWZELBOBBCCTDET-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.20
Rot. Bonds12

About 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide

4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide (PubChem CID 169158474) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
PubChem CID169158474
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
SMILESCCOCCC(=O)NC1CCC(C(=O)NCCOCC(=O)CC)CC1
InChIInChI=1S/C18H32N2O5/c1-3-16(21)13-25-12-10-19-18(23)14-5-7-15(8-6-14)20-17(22)9-11-24-4-2/h14-15H,3-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyWZELBOBBCCTDET-UHFFFAOYSA-N
XLogP1.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide 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

ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
CID 169159604
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
3-[3-(2-ethoxyethoxy)propanoylamino]-N-[2-(2-oxobutoxy)ethyl]propanamide
CID 170139012
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide (CID 169158474) is 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide is CCOCCC(=O)NC1CCC(C(=O)NCCOCC(=O)CC)CC1.
What is the InChIKey of 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide?
The InChIKey is WZELBOBBCCTDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-3-16(21)13-25-12-10-19-18(23)14-5-7-15(8-6-14)20-17(22)9-11-24-4-2/h14-15H,3-13H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide?
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 1.20, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 169158474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).