2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide

C38H45N3O2 — CID 10231791

IUPAC2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide
SMILESNC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C38H45N3O2/c39-38(42)29-32-14-10-19-36(28-32)43-27-11-23-41(30-37(33-15-6-2-7-16-33)34-17-8-3-9-18-34)35-21-25-40(26-22-35)24-20-31-12-4-1-5-13-31/h1-10,12-19,28,35,37H,11,20-27,29-30H2,(H2,39,42)
InChIKeyKZZAKCQGMSLDCX-UHFFFAOYSA-N
MW575.80 g/mol
LogP6.32
Rot. Bonds15

About 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide

2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide (PubChem CID 10231791) has the molecular formula C38H45N3O2 and a molecular weight of 575.80 g/mol. Its IUPAC name is 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide
PubChem CID10231791
Molecular FormulaC38H45N3O2
Molecular Weight575.80 g/mol
Exact Mass575.35
IUPAC Name2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide
SMILESNC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C38H45N3O2/c39-38(42)29-32-14-10-19-36(28-32)43-27-11-23-41(30-37(33-15-6-2-7-16-33)34-17-8-3-9-18-34)35-21-25-40(26-22-35)24-20-31-12-4-1-5-13-31/h1-10,12-19,28,35,37H,11,20-27,29-30H2,(H2,39,42)
InChIKeyKZZAKCQGMSLDCX-UHFFFAOYSA-N
XLogP6.32
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.80
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
CID 10116944
2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide
CID 10207449
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
N-butyl-1-(2-phenylethyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24857477
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 10439930
N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-2-(3-methoxyphenyl)acetamide
CID 25205437
2-[3-(4-phenylbutoxy)phenyl]acetic acid
CID 114332927
N-(1-phenylethoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;hydrochloride
CID 173411909
phenyl 1-(2-phenylethyl)piperidine-4-carboxylate
CID 102339946
2-[4-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2,2-diphenylethyl)amino]propoxy]phenyl]piperidin-1-yl]acetic acid
CID 10129407
1-[4-[2-(2-phenylethyl)phenoxy]butyl]piperidine-4-carboxamide
CID 3055325
methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
CID 10165098

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide?
The IUPAC name of 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide (CID 10231791) is 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide.
What is the SMILES notation for 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide?
The canonical SMILES for 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide is NC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)C2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide?
The InChIKey is KZZAKCQGMSLDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N3O2/c39-38(42)29-32-14-10-19-36(28-32)43-27-11-23-41(30-37(33-15-6-2-7-16-33)34-17-8-3-9-18-34)35-21-25-40(26-22-35)24-20-31-12-4-1-5-13-31/h1-10,12-19,28,35,37H,11,20-27,29-30H2,(H2,39,42).
What are the key properties of 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide?
2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide has a molecular weight of 575.80 g/mol, XLogP of 6.32, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2,2-diphenylethyl-[1-(2-phenylethyl)piperidin-4-yl]amino]propoxy]phenyl]acetamide is sourced from PubChem (CID 10231791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).