N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide

C32H40N2O2 — CID 155014434

IUPACN-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide
SMILESCCC(C)(C)c1ccc(CCNC(=O)CCCC(=O)Nc2ccc(CCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H40N2O2/c1-4-32(2,3)28-19-15-27(16-20-28)23-24-33-30(35)11-8-12-31(36)34-29-21-17-26(18-22-29)14-13-25-9-6-5-7-10-25/h5-7,9-10,15-22H,4,8,11-14,23-24H2,1-3H3,(H,33,35)(H,34,36)
InChIKeyULCICBHECNFHFB-UHFFFAOYSA-N
MW484.68 g/mol
LogP6.63
Rot. Bonds13

About N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide

N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide (PubChem CID 155014434) has the molecular formula C32H40N2O2 and a molecular weight of 484.68 g/mol. Its IUPAC name is N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide
PubChem CID155014434
Molecular FormulaC32H40N2O2
Molecular Weight484.68 g/mol
Exact Mass484.31
IUPAC NameN-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide
SMILESCCC(C)(C)c1ccc(CCNC(=O)CCCC(=O)Nc2ccc(CCc3ccccc3)cc2)cc1
InChIInChI=1S/C32H40N2O2/c1-4-32(2,3)28-19-15-27(16-20-28)23-24-33-30(35)11-8-12-31(36)34-29-21-17-26(18-22-29)14-13-25-9-6-5-7-10-25/h5-7,9-10,15-22H,4,8,11-14,23-24H2,1-3H3,(H,33,35)(H,34,36)
InChIKeyULCICBHECNFHFB-UHFFFAOYSA-N
XLogP6.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.68
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide with MolForge

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Related Compounds

N-[2-(4-ethylphenyl)ethyl]-N'-[4-[(E)-2-phenylethenyl]phenyl]pentanediamide
CID 130369826
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
4-[4-(methylamino)butanoylamino]-N-(2-phenylethyl)benzamide
CID 119749170
3-(4-acetamidoanilino)-N-(2-phenylethyl)propanamide
CID 109024184
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
4-(4-aminobutanoylamino)-N-(2-phenylethyl)benzamide
CID 119303517
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
N-[3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]phenyl]hexanamide
CID 54842658
3-amino-N-[4-(3-phenylpropyl)phenyl]propanamide;hydrochloride
CID 119315336

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide?
The IUPAC name of N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide (CID 155014434) is N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide.
What is the SMILES notation for N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide?
The canonical SMILES for N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide is CCC(C)(C)c1ccc(CCNC(=O)CCCC(=O)Nc2ccc(CCc3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide?
The InChIKey is ULCICBHECNFHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N2O2/c1-4-32(2,3)28-19-15-27(16-20-28)23-24-33-30(35)11-8-12-31(36)34-29-21-17-26(18-22-29)14-13-25-9-6-5-7-10-25/h5-7,9-10,15-22H,4,8,11-14,23-24H2,1-3H3,(H,33,35)(H,34,36).
What are the key properties of N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide?
N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide has a molecular weight of 484.68 g/mol, XLogP of 6.63, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylbutan-2-yl)phenyl]ethyl]-N'-[4-(2-phenylethyl)phenyl]pentanediamide is sourced from PubChem (CID 155014434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).