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

C41H48N4O4 — CID 11456556

IUPACN-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1
InChIInChI=1S/C41H48N4O4/c42-39(46)30-44(25-23-37(32-14-5-1-6-15-32)33-16-7-2-8-17-33)41(48)31-45(40(47)29-43-28-36-22-13-27-49-36)26-24-38(34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-12,14-21,36-38,43H,13,22-31H2,(H2,42,46)
InChIKeyBHFJQXAFTZBCCB-UHFFFAOYSA-N
MW660.86 g/mol
LogP5.34
Rot. Bonds18

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

N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 11456556) has the molecular formula C41H48N4O4 and a molecular weight of 660.86 g/mol. Its IUPAC name is N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID11456556
Molecular FormulaC41H48N4O4
Molecular Weight660.86 g/mol
Exact Mass660.37
IUPAC NameN-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
SMILESNC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1
InChIInChI=1S/C41H48N4O4/c42-39(46)30-44(25-23-37(32-14-5-1-6-15-32)33-16-7-2-8-17-33)41(48)31-45(40(47)29-43-28-36-22-13-27-49-36)26-24-38(34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-12,14-21,36-38,43H,13,22-31H2,(H2,42,46)
InChIKeyBHFJQXAFTZBCCB-UHFFFAOYSA-N
XLogP5.34
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(3,3-diphenylpropylamino)acetamide
CID 16658830
N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 16658884
N-(2-amino-2-oxoethyl)-2-(3,3-diphenylpropylamino)-N-(oxolan-2-ylmethyl)acetamide
CID 16658829
1-(3,3-Diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 16658886
N-(2-amino-2-oxoethyl)-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 16658888
N-(oxolan-2-ylmethyl)-2-[4-(2-phenylethyl)piperidin-1-yl]acetamide
CID 45862368
N-[3-[bis(2-methoxyethyl)amino]-3-oxopropyl]-3-(2,2-diphenylethylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 178293775
N-(2,2-diphenylethyl)-N-[2-[di(propan-2-yl)amino]-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 178320893
2-[methyl(2-phenylpropyl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 72013357
N'-(oxolan-2-ylmethyl)-N-(4-phenylbutyl)oxamide
CID 2933633
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 60502256
(2R)-2-[methyl-[(2R)-2-[methyl-[2-[[(2R)-pyrrolidin-2-yl]methoxy]acetyl]amino]-3-(4-phenylphenyl)propanoyl]amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 54566646

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide (CID 11456556) is N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide is NC(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1.
What is the InChIKey of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is BHFJQXAFTZBCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H48N4O4/c42-39(46)30-44(25-23-37(32-14-5-1-6-15-32)33-16-7-2-8-17-33)41(48)31-45(40(47)29-43-28-36-22-13-27-49-36)26-24-38(34-18-9-3-10-19-34)35-20-11-4-12-21-35/h1-12,14-21,36-38,43H,13,22-31H2,(H2,42,46).
What are the key properties of N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide?
N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 660.86 g/mol, XLogP of 5.34, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-2-oxoethyl)-(3,3-diphenylpropyl)amino]-2-oxoethyl]-N-(3,3-diphenylpropyl)-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 11456556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).