2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide

C18H24N2O2 — CID 163371718

IUPAC2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)CC1(c2cc(C3CCC3)ccc2C=O)CC1
InChIInChI=1S/C18H24N2O2/c1-20(10-17(19)22)12-18(7-8-18)16-9-14(13-3-2-4-13)5-6-15(16)11-21/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H2,19,22)
InChIKeyAHJVMNNUIVREGS-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.22
Rot. Bonds7

About 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide

2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide (PubChem CID 163371718) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide
PubChem CID163371718
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)CC1(c2cc(C3CCC3)ccc2C=O)CC1
InChIInChI=1S/C18H24N2O2/c1-20(10-17(19)22)12-18(7-8-18)16-9-14(13-3-2-4-13)5-6-15(16)11-21/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H2,19,22)
InChIKeyAHJVMNNUIVREGS-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide (CID 163371718) is 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide is CN(CC(N)=O)CC1(c2cc(C3CCC3)ccc2C=O)CC1.
What is the InChIKey of 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide?
The InChIKey is AHJVMNNUIVREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-20(10-17(19)22)12-18(7-8-18)16-9-14(13-3-2-4-13)5-6-15(16)11-21/h5-6,9,11,13H,2-4,7-8,10,12H2,1H3,(H2,19,22).
What are the key properties of 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide?
2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide has a molecular weight of 300.40 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-cyclobutyl-2-formylphenyl)cyclopropyl]methyl-methylamino]acetamide is sourced from PubChem (CID 163371718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).