N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide

C24H31N3O3 — CID 16658829

IUPACN-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
SMILESNC(=O)CN(CC1CCCO1)C(=O)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c25-23(28)18-27(17-21-12-7-15-30-21)24(29)16-26-14-13-22(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)
InChIKeyOMZRRUCSSQBETQ-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.29
Rot. Bonds11

About N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide

N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16658829) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16658829
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
SMILESNC(=O)CN(CC1CCCO1)C(=O)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31N3O3/c25-23(28)18-27(17-21-12-7-15-30-21)24(29)16-26-14-13-22(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)
InChIKeyOMZRRUCSSQBETQ-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide (CID 16658829) is N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide is NC(=O)CN(CC1CCCO1)C(=O)CNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is OMZRRUCSSQBETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c25-23(28)18-27(17-21-12-7-15-30-21)24(29)16-26-14-13-22(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)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide?
N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)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)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16658829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).