2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide

C30H36N2O — CID 70303123

IUPAC2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCC(NCCCCc2ccccc2)C1
InChIInChI=1S/C30H36N2O/c31-29(33)30(25-16-6-2-7-17-25,26-18-8-3-9-19-26)27-20-12-21-28(23-27)32-22-11-10-15-24-13-4-1-5-14-24/h1-9,13-14,16-19,27-28,32H,10-12,15,20-23H2,(H2,31,33)
InChIKeyAXEGVVWVRXQBGK-UHFFFAOYSA-N
MW440.63 g/mol
LogP5.63
Rot. Bonds10

About 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide

2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide (PubChem CID 70303123) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
PubChem CID70303123
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
SMILESNC(=O)C(c1ccccc1)(c1ccccc1)C1CCCC(NCCCCc2ccccc2)C1
InChIInChI=1S/C30H36N2O/c31-29(33)30(25-16-6-2-7-17-25,26-18-8-3-9-19-26)27-20-12-21-28(23-27)32-22-11-10-15-24-13-4-1-5-14-24/h1-9,13-14,16-19,27-28,32H,10-12,15,20-23H2,(H2,31,33)
InChIKeyAXEGVVWVRXQBGK-UHFFFAOYSA-N
XLogP5.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide
CID 70304083
2-[3-[4-(6-methyl-2-pyridinyl)butylamino]cyclopentyl]-2,2-diphenylacetamide
CID 70300394
2-[(3R)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11408589
2-[(3S)-1-[8-(cyclobutylamino)octyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 16755438
4-(4-phenylbutylamino)cyclohexane-1-carboxamide
CID 114333233
2,2-diphenyl-2-[(1S,3R)-3-(2-phenylethylamino)cyclohexyl]acetonitrile
CID 70303221
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3S)-1-[4-[4-(2-hydroxyethyl)phenyl]butyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66859566
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide?
The IUPAC name of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide (CID 70303123) is 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide?
The canonical SMILES for 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide is NC(=O)C(c1ccccc1)(c1ccccc1)C1CCCC(NCCCCc2ccccc2)C1.
What is the InChIKey of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide?
The InChIKey is AXEGVVWVRXQBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c31-29(33)30(25-16-6-2-7-17-25,26-18-8-3-9-19-26)27-20-12-21-28(23-27)32-22-11-10-15-24-13-4-1-5-14-24/h1-9,13-14,16-19,27-28,32H,10-12,15,20-23H2,(H2,31,33).
What are the key properties of 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide?
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide has a molecular weight of 440.63 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide is sourced from PubChem (CID 70303123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).