N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane

C21H42N2O5 — CID 169158456

IUPACN-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane
SMILESCC(C)C.CC(C)C=O.CNCCOCCOCCC(=O)NC1CC(C=O)C1
InChIInChI=1S/C13H24N2O4.C4H8O.C4H10/c1-14-3-5-19-7-6-18-4-2-13(17)15-12-8-11(9-12)10-16;1-4(2)3-5;1-4(2)3/h10-12,14H,2-9H2,1H3,(H,15,17);3-4H,1-2H3;4H,1-3H3
InChIKeySUUCGRQCSAZRDV-UHFFFAOYSA-N
MW402.58 g/mol
LogP2.23
Rot. Bonds12

About N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane

N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane (PubChem CID 169158456) has the molecular formula C21H42N2O5 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane.

Molecular Properties

Compound NameN-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane
PubChem CID169158456
Molecular FormulaC21H42N2O5
Molecular Weight402.58 g/mol
Exact Mass402.31
IUPAC NameN-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane
SMILESCC(C)C.CC(C)C=O.CNCCOCCOCCC(=O)NC1CC(C=O)C1
InChIInChI=1S/C13H24N2O4.C4H8O.C4H10/c1-14-3-5-19-7-6-18-4-2-13(17)15-12-8-11(9-12)10-16;1-4(2)3-5;1-4(2)3/h10-12,14H,2-9H2,1H3,(H,15,17);3-4H,1-2H3;4H,1-3H3
InChIKeySUUCGRQCSAZRDV-UHFFFAOYSA-N
XLogP2.23
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-(2-ethoxyethoxy)-N-methylethanamine;2-methylpropanal
CID 177338044
4-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 170145054
4-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 90086925
4-[2-[2-(methylamino)ethoxy]ethoxy]butan-2-one
CID 59450621
N-(3-formylcyclobutyl)-3,3-dimethylbutanamide
CID 176762376
N-[3-(2-methylpropanoyl)cyclobutyl]-3-[2-(3-propan-2-yloxypropanoylamino)ethoxy]propanamide;molecular hydrogen
CID 167464240
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 170424406
2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 169158396
N-cyclopropyl-4-[2-(3-methylbutoxy)ethylamino]butanamide
CID 79394303
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
ethane;2-methyl-N-[2-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethoxy]ethyl]propanamide
CID 177357226
N-[(2R)-3,3-dimethylbutan-2-yl]-3-[3-[2-[2-(methylamino)ethoxy]ethoxy]propoxy]propanamide
CID 166714983

Frequently Asked Questions

What is the IUPAC name of N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane?
The IUPAC name of N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane (CID 169158456) is N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane.
What is the SMILES notation for N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane?
The canonical SMILES for N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane is CC(C)C.CC(C)C=O.CNCCOCCOCCC(=O)NC1CC(C=O)C1.
What is the InChIKey of N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane?
The InChIKey is SUUCGRQCSAZRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.C4H8O.C4H10/c1-14-3-5-19-7-6-18-4-2-13(17)15-12-8-11(9-12)10-16;1-4(2)3-5;1-4(2)3/h10-12,14H,2-9H2,1H3,(H,15,17);3-4H,1-2H3;4H,1-3H3.
What are the key properties of N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane?
N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane has a molecular weight of 402.58 g/mol, XLogP of 2.23, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylcyclobutyl)-3-[2-[2-(methylamino)ethoxy]ethoxy]propanamide;2-methylpropanal;2-methylpropane is sourced from PubChem (CID 169158456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).