1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide

C18H32N2O4 — CID 169159325

IUPAC1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide
SMILESCCOCCOCCNC(=O)C1CN(C2CCC(C(C)=O)CC2)C1
InChIInChI=1S/C18H32N2O4/c1-3-23-10-11-24-9-8-19-18(22)16-12-20(13-16)17-6-4-15(5-7-17)14(2)21/h15-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyPBNVVCJNACCXGR-UHFFFAOYSA-N
MW340.46 g/mol
LogP1.24
Rot. Bonds10

About 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide

1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide (PubChem CID 169159325) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide
PubChem CID169159325
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Name1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide
SMILESCCOCCOCCNC(=O)C1CN(C2CCC(C(C)=O)CC2)C1
InChIInChI=1S/C18H32N2O4/c1-3-23-10-11-24-9-8-19-18(22)16-12-20(13-16)17-6-4-15(5-7-17)14(2)21/h15-17H,3-13H2,1-2H3,(H,19,22)
InChIKeyPBNVVCJNACCXGR-UHFFFAOYSA-N
XLogP1.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
CID 177357452
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-propylazetidine-3-carboxamide;molecular hydrogen
CID 154672359
N-(2-ethoxyethyl)azetidine-3-carboxamide;hydrochloride
CID 142434678
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
(3R)-N-(3-ethoxypropyl)-1-methylpiperidine-3-carboxamide
CID 99970155
4-ethyl-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 157185974
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
3-amino-N-[2-(2-methoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 66009424
1,4-di(hexadecanoyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]-1,4-diazepane-6-carboxamide
CID 170630613
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide?
The IUPAC name of 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide (CID 169159325) is 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide?
The canonical SMILES for 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide is CCOCCOCCNC(=O)C1CN(C2CCC(C(C)=O)CC2)C1.
What is the InChIKey of 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide?
The InChIKey is PBNVVCJNACCXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O4/c1-3-23-10-11-24-9-8-19-18(22)16-12-20(13-16)17-6-4-15(5-7-17)14(2)21/h15-17H,3-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide?
1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide has a molecular weight of 340.46 g/mol, XLogP of 1.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide is sourced from PubChem (CID 169159325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).