N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide

C24H31N3O3 — CID 16658888

IUPACN-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1
InChIInChI=1S/C24H31N3O3/c25-23(28)18-27(24(29)17-26-16-21-12-7-15-30-21)14-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22,26H,7,12-18H2,(H2,25,28)
InChIKeyGBZMYMKIHSPXCG-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.29
Rot. Bonds11

About N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide

N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 16658888) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID16658888
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1
InChIInChI=1S/C24H31N3O3/c25-23(28)18-27(24(29)17-26-16-21-12-7-15-30-21)14-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22,26H,7,12-18H2,(H2,25,28)
InChIKeyGBZMYMKIHSPXCG-UHFFFAOYSA-N
XLogP2.29
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 16658888) is N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide is NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is GBZMYMKIHSPXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c25-23(28)18-27(24(29)17-26-16-21-12-7-15-30-21)14-13-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,21-22,26H,7,12-18H2,(H2,25,28).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 409.53 g/mol, XLogP of 2.29, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 16658888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).