ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide

C23H46N2O5 — CID 177357306

IUPACethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC.CC.CCOCCOCCC(=O)NC1CCC(C(=O)NCC(=O)C(C)C)CC1
InChIInChI=1S/C19H34N2O5.2C2H6/c1-4-25-11-12-26-10-9-18(23)21-16-7-5-15(6-8-16)19(24)20-13-17(22)14(2)3;2*1-2/h14-16H,4-13H2,1-3H3,(H,20,24)(H,21,23);2*1-2H3
InChIKeyRNZFEQBPGQSQIO-UHFFFAOYSA-N
MW430.63 g/mol
LogP3.50
Rot. Bonds12

About ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide

ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide (PubChem CID 177357306) has the molecular formula C23H46N2O5 and a molecular weight of 430.63 g/mol. Its IUPAC name is ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Nameethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
PubChem CID177357306
Molecular FormulaC23H46N2O5
Molecular Weight430.63 g/mol
Exact Mass430.34
IUPAC Nameethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
SMILESCC.CC.CCOCCOCCC(=O)NC1CCC(C(=O)NCC(=O)C(C)C)CC1
InChIInChI=1S/C19H34N2O5.2C2H6/c1-4-25-11-12-26-10-9-18(23)21-16-7-5-15(6-8-16)19(24)20-13-17(22)14(2)3;2*1-2/h14-16H,4-13H2,1-3H3,(H,20,24)(H,21,23);2*1-2H3
InChIKeyRNZFEQBPGQSQIO-UHFFFAOYSA-N
XLogP3.50
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.63
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-[3-(2-methoxyethoxy)propanoylamino]-N-(2-oxobutyl)cyclohexane-1-carboxamide
CID 169159604
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
1-N,4-N-bis(3-methyl-2-oxobutyl)cyclohexane-1,4-dicarboxamide
CID 59440307
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
N-[2-oxo-2-[(4-propanoylcyclohexyl)amino]ethyl]-3-(2-propan-2-yloxyethoxy)propanamide
CID 169158949
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen
CID 167464225

Frequently Asked Questions

What is the IUPAC name of ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The IUPAC name of ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide (CID 177357306) is ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The canonical SMILES for ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide is CC.CC.CCOCCOCCC(=O)NC1CCC(C(=O)NCC(=O)C(C)C)CC1.
What is the InChIKey of ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
The InChIKey is RNZFEQBPGQSQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5.2C2H6/c1-4-25-11-12-26-10-9-18(23)21-16-7-5-15(6-8-16)19(24)20-13-17(22)14(2)3;2*1-2/h14-16H,4-13H2,1-3H3,(H,20,24)(H,21,23);2*1-2H3.
What are the key properties of ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide?
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide has a molecular weight of 430.63 g/mol, XLogP of 3.50, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 177357306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).