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

C23H44N2O5 — CID 177357226

IUPACethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
SMILESCC.CC(C)C(=O)NCCOCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C21H38N2O5.C2H6/c1-15(2)20(25)17-5-7-18(8-6-17)23-19(24)9-11-27-13-14-28-12-10-22-21(26)16(3)4;1-2/h15-18H,5-14H2,1-4H3,(H,22,26)(H,23,24);1-2H3
InChIKeyKIQFFIPZFSYQLF-UHFFFAOYSA-N
MW428.61 g/mol
LogP3.11
Rot. Bonds13

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

ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide (PubChem CID 177357226) has the molecular formula C23H44N2O5 and a molecular weight of 428.61 g/mol. Its IUPAC name is ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
PubChem CID177357226
Molecular FormulaC23H44N2O5
Molecular Weight428.61 g/mol
Exact Mass428.33
IUPAC Nameethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
SMILESCC.CC(C)C(=O)NCCOCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C21H38N2O5.C2H6/c1-15(2)20(25)17-5-7-18(8-6-17)23-19(24)9-11-27-13-14-28-12-10-22-21(26)16(3)4;1-2/h15-18H,5-14H2,1-4H3,(H,22,26)(H,23,24);1-2H3
InChIKeyKIQFFIPZFSYQLF-UHFFFAOYSA-N
XLogP3.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 53.11
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

2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
3-[2-[(2-methoxyacetyl)amino]ethoxy]-N-[4-(2-methylpropanoyl)cyclohexyl]propanamide
CID 178082713
3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
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
N-[2-[2-(6-chlorohexoxy)ethoxy]ethyl]-4-(2-methylpropanoylamino)cyclohexane-1-carboxamide
CID 139476083
N-[4-(2-methylpropanoyl)cyclohexyl]-3-(4-propan-2-yloxycyclohexyl)oxypropanamide
CID 169158788
ethane;2-methyl-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 176578249
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide (CID 177357226) is ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide is CC.CC(C)C(=O)NCCOCCOCCC(=O)NC1CCC(C(=O)C(C)C)CC1.
What is the InChIKey of ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide?
The InChIKey is KIQFFIPZFSYQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O5.C2H6/c1-15(2)20(25)17-5-7-18(8-6-17)23-19(24)9-11-27-13-14-28-12-10-22-21(26)16(3)4;1-2/h15-18H,5-14H2,1-4H3,(H,22,26)(H,23,24);1-2H3.
What are the key properties of ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide?
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide has a molecular weight of 428.61 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide is sourced from PubChem (CID 177357226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).