2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide

C18H28N2O — CID 99816094

IUPAC2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide
SMILESCCCN(CC(C)(C)c1ccccc1)C(=O)CNC1CC1
InChIInChI=1S/C18H28N2O/c1-4-12-20(17(21)13-19-16-10-11-16)14-18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3
InChIKeyWETUCQYMNFJVFB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.95
Rot. Bonds8

About 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide

2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide (PubChem CID 99816094) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide
PubChem CID99816094
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide
SMILESCCCN(CC(C)(C)c1ccccc1)C(=O)CNC1CC1
InChIInChI=1S/C18H28N2O/c1-4-12-20(17(21)13-19-16-10-11-16)14-18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3
InChIKeyWETUCQYMNFJVFB-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide (CID 99816094) is 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide is CCCN(CC(C)(C)c1ccccc1)C(=O)CNC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide?
The InChIKey is WETUCQYMNFJVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-12-20(17(21)13-19-16-10-11-16)14-18(2,3)15-8-6-5-7-9-15/h5-9,16,19H,4,10-14H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide?
2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide has a molecular weight of 288.44 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2-methyl-2-phenylpropyl)-N-propylacetamide is sourced from PubChem (CID 99816094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).