ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide

C20H41NO5 — CID 177357452

IUPACethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
SMILESCC.CCOCCOCCOCCOCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C18H35NO5.C2H6/c1-3-21-10-11-23-14-15-24-13-12-22-9-8-19-18(20)17-6-4-16(2)5-7-17;1-2/h16-17H,3-15H2,1-2H3,(H,19,20);1-2H3
InChIKeyOVDQXBBZVQUOLY-UHFFFAOYSA-N
MW375.55 g/mol
LogP3.04
Rot. Bonds14

About ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide

ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide (PubChem CID 177357452) has the molecular formula C20H41NO5 and a molecular weight of 375.55 g/mol. Its IUPAC name is ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
PubChem CID177357452
Molecular FormulaC20H41NO5
Molecular Weight375.55 g/mol
Exact Mass375.30
IUPAC Nameethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide
SMILESCC.CCOCCOCCOCCOCCNC(=O)C1CCC(C)CC1
InChIInChI=1S/C18H35NO5.C2H6/c1-3-21-10-11-23-14-15-24-13-12-22-9-8-19-18(20)17-6-4-16(2)5-7-17;1-2/h16-17H,3-15H2,1-2H3,(H,19,20);1-2H3
InChIKeyOVDQXBBZVQUOLY-UHFFFAOYSA-N
XLogP3.04
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.04
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

N-[3-(2-chloroethoxy)propyl]-4-methylcyclohexane-1-carboxamide
CID 106307018
1-(4-acetylcyclohexyl)-N-[2-(2-ethoxyethoxy)ethyl]azetidine-3-carboxamide
CID 169159325
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-1-propylazetidine-3-carboxamide;molecular hydrogen
CID 154672359
N-(2-ethoxyethyl)azetidine-3-carboxamide;hydrochloride
CID 142434678
4-methyl-N-[2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 115563516
4-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]cyclohexane-1-carboxamide
CID 62806612
4-ethyl-N-[2-[2-(2-oxoethoxy)ethoxy]ethyl]cyclohexane-1-carboxamide
CID 157185974
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
N-(2-butoxyethyl)-1-ethylpiperidine-4-carboxamide
CID 176985091
N-[2-(2-aminoethoxy)ethyl]-4-butylcyclohexane-1-carboxamide
CID 63754103
N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide (CID 177357452) is ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide is CC.CCOCCOCCOCCOCCNC(=O)C1CCC(C)CC1.
What is the InChIKey of ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is OVDQXBBZVQUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO5.C2H6/c1-3-21-10-11-23-14-15-24-13-12-22-9-8-19-18(20)17-6-4-16(2)5-7-17;1-2/h16-17H,3-15H2,1-2H3,(H,19,20);1-2H3.
What are the key properties of ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide?
ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 375.55 g/mol, XLogP of 3.04, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 177357452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).