N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide

C34H37N3O2 — CID 16658830

IUPACN-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
SMILESNC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N3O2/c35-33(38)26-37(24-22-32(29-17-9-3-10-18-29)30-19-11-4-12-20-30)34(39)25-36-23-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-20,31-32,36H,21-26H2,(H2,35,38)
InChIKeyRBFFTSAHMSYLAK-UHFFFAOYSA-N
MW519.69 g/mol
LogP5.33
Rot. Bonds14

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

N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide (PubChem CID 16658830) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
PubChem CID16658830
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC NameN-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
SMILESNC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H37N3O2/c35-33(38)26-37(24-22-32(29-17-9-3-10-18-29)30-19-11-4-12-20-30)34(39)25-36-23-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-20,31-32,36H,21-26H2,(H2,35,38)
InChIKeyRBFFTSAHMSYLAK-UHFFFAOYSA-N
XLogP5.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide (CID 16658830) is N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide is NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?
The InChIKey is RBFFTSAHMSYLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O2/c35-33(38)26-37(24-22-32(29-17-9-3-10-18-29)30-19-11-4-12-20-30)34(39)25-36-23-21-31(27-13-5-1-6-14-27)28-15-7-2-8-16-28/h1-20,31-32,36H,21-26H2,(H2,35,38).
What are the key properties of N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide?
N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide has a molecular weight of 519.69 g/mol, XLogP of 5.33, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide is sourced from PubChem (CID 16658830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).