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

C39H45N3O3 — CID 16658884

IUPACN-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H45N3O3/c43-38(41-25-23-36(31-14-5-1-6-15-31)32-16-7-2-8-17-32)30-42(39(44)29-40-28-35-22-13-27-45-35)26-24-37(33-18-9-3-10-19-33)34-20-11-4-12-21-34/h1-12,14-21,35-37,40H,13,22-30H2,(H,41,43)
InChIKeyLDBKYPUSVXWURX-UHFFFAOYSA-N
MW603.81 g/mol
LogP6.14
Rot. Bonds16

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

N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 16658884) has the molecular formula C39H45N3O3 and a molecular weight of 603.81 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID16658884
Molecular FormulaC39H45N3O3
Molecular Weight603.81 g/mol
Exact Mass603.35
IUPAC NameN-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESO=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H45N3O3/c43-38(41-25-23-36(31-14-5-1-6-15-31)32-16-7-2-8-17-32)30-42(39(44)29-40-28-35-22-13-27-45-35)26-24-37(33-18-9-3-10-19-33)34-20-11-4-12-21-34/h1-12,14-21,35-37,40H,13,22-30H2,(H,41,43)
InChIKeyLDBKYPUSVXWURX-UHFFFAOYSA-N
XLogP6.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)-2-(3,3-diphenylpropylamino)acetamide
CID 16658831
N-Phenethyl-N'-(tetrahydro-furan-2-ylmethyl)-oxalamide
CID 551498
trimer I
CID 11456556
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-(2,2-diphenylethyl)-N-[3-[di(propan-2-yl)amino]-3-oxopropyl]-3-(oxolan-2-ylmethylamino)propanamide
CID 178292143
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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 16658884) is N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide is O=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)CNCC1CCCO1)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is LDBKYPUSVXWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H45N3O3/c43-38(41-25-23-36(31-14-5-1-6-15-31)32-16-7-2-8-17-32)30-42(39(44)29-40-28-35-22-13-27-45-35)26-24-37(33-18-9-3-10-19-33)34-20-11-4-12-21-34/h1-12,14-21,35-37,40H,13,22-30H2,(H,41,43).
What are the key properties of N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 603.81 g/mol, XLogP of 6.14, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 16658884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).