N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen

C18H38N2O5 — CID 167464225

IUPACN-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen
SMILESCC(C)C(=O)CCOCCC(=O)NC1CCC1.CCOCCNC=O.[H][H].[H][H]
InChIInChI=1S/C13H23NO3.C5H11NO2.2H2/c1-10(2)12(15)6-8-17-9-7-13(16)14-11-4-3-5-11;1-2-8-4-3-6-5-7;;/h10-11H,3-9H2,1-2H3,(H,14,16);5H,2-4H2,1H3,(H,6,7);2*1H
InChIKeyBAJWWUXRGVAGRL-UHFFFAOYSA-N
MW362.51 g/mol
LogP1.94
Rot. Bonds13

About N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen

N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen (PubChem CID 167464225) has the molecular formula C18H38N2O5 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen
PubChem CID167464225
Molecular FormulaC18H38N2O5
Molecular Weight362.51 g/mol
Exact Mass362.28
IUPAC NameN-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen
SMILESCC(C)C(=O)CCOCCC(=O)NC1CCC1.CCOCCNC=O.[H][H].[H][H]
InChIInChI=1S/C13H23NO3.C5H11NO2.2H2/c1-10(2)12(15)6-8-17-9-7-13(16)14-11-4-3-5-11;1-2-8-4-3-6-5-7;;/h10-11H,3-9H2,1-2H3,(H,14,16);5H,2-4H2,1H3,(H,6,7);2*1H
InChIKeyBAJWWUXRGVAGRL-UHFFFAOYSA-N
XLogP1.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]propanamide;molecular hydrogen
CID 169159088
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]formamide
CID 145058844
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
3-(2-ethoxyethoxy)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 169159624
N-cyclohexyl-2-(2-ethoxyethylamino)propanamide
CID 43591067
4-cyclohexyloxy-N-[2-(4-methyl-3-oxopentoxy)ethyl]butanamide;ethane;molecular hydrogen;propan-1-ol
CID 169159571
N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
CID 79394303
ethane;3-(2-ethoxyethoxy)-N-propan-2-ylpropanamide;molecular hydrogen
CID 178062930
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen?
The IUPAC name of N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen (CID 167464225) is N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen.
What is the SMILES notation for N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen?
The canonical SMILES for N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen is CC(C)C(=O)CCOCCC(=O)NC1CCC1.CCOCCNC=O.[H][H].[H][H].
What is the InChIKey of N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen?
The InChIKey is BAJWWUXRGVAGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3.C5H11NO2.2H2/c1-10(2)12(15)6-8-17-9-7-13(16)14-11-4-3-5-11;1-2-8-4-3-6-5-7;;/h10-11H,3-9H2,1-2H3,(H,14,16);5H,2-4H2,1H3,(H,6,7);2*1H.
What are the key properties of N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen?
N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen has a molecular weight of 362.51 g/mol, XLogP of 1.94, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-(4-methyl-3-oxopentoxy)propanamide;N-(2-ethoxyethyl)formamide;molecular hydrogen is sourced from PubChem (CID 167464225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).