2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide

C31H37BrN2O — CID 57015083

IUPAC2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide
SMILESCCC=CCCN(CCCC(C(N)=O)c1ccc(Br)cc1-c1ccccc1)CCc1ccccc1
InChIInChI=1S/C31H37BrN2O/c1-2-3-4-11-21-34(23-20-25-13-7-5-8-14-25)22-12-17-29(31(33)35)28-19-18-27(32)24-30(28)26-15-9-6-10-16-26/h3-10,13-16,18-19,24,29H,2,11-12,17,20-23H2,1H3,(H2,33,35)
InChIKeyZZLWPWTXDDLGFM-UHFFFAOYSA-N
MW533.55 g/mol
LogP7.37
Rot. Bonds14

About 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide

2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide (PubChem CID 57015083) has the molecular formula C31H37BrN2O and a molecular weight of 533.55 g/mol. Its IUPAC name is 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide.

Molecular Properties

Compound Name2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide
PubChem CID57015083
Molecular FormulaC31H37BrN2O
Molecular Weight533.55 g/mol
Exact Mass532.21
IUPAC Name2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide
SMILESCCC=CCCN(CCCC(C(N)=O)c1ccc(Br)cc1-c1ccccc1)CCc1ccccc1
InChIInChI=1S/C31H37BrN2O/c1-2-3-4-11-21-34(23-20-25-13-7-5-8-14-25)22-12-17-29(31(33)35)28-19-18-27(32)24-30(28)26-15-9-6-10-16-26/h3-10,13-16,18-19,24,29H,2,11-12,17,20-23H2,1H3,(H2,33,35)
InChIKeyZZLWPWTXDDLGFM-UHFFFAOYSA-N
XLogP7.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.55
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(diethylamino)-2-(2-phenylphenyl)pentanamide
CID 23453800
acetic acid;2-(2-phenylphenyl)-5-[3-phenylpropyl(prop-2-enyl)amino]pentanoic acid
CID 173433597
4-(dimethylamino)-2-(2-phenylphenyl)butanamide
CID 70546597
(5E,9E)-1-phenyldodeca-5,9-dien-3-ol
CID 102008649
(9Z,12Z,15Z)-2-phenyloctadeca-9,12,15-trienoic acid
CID 141172455
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
CID 57263501
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
ethane;ethanol;(Z)-N-hydroxyoct-5-enamide;(E,2R,6S)-3-methyl-8-phenyloct-4-ene-2,6-diol
CID 143548542
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
CID 70412302
ethane;(2S)-2-(methylamino)-4-phenylbutanamide
CID 142110580
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide?
The IUPAC name of 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide (CID 57015083) is 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide.
What is the SMILES notation for 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide?
The canonical SMILES for 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide is CCC=CCCN(CCCC(C(N)=O)c1ccc(Br)cc1-c1ccccc1)CCc1ccccc1.
What is the InChIKey of 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide?
The InChIKey is ZZLWPWTXDDLGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37BrN2O/c1-2-3-4-11-21-34(23-20-25-13-7-5-8-14-25)22-12-17-29(31(33)35)28-19-18-27(32)24-30(28)26-15-9-6-10-16-26/h3-10,13-16,18-19,24,29H,2,11-12,17,20-23H2,1H3,(H2,33,35).
What are the key properties of 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide?
2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide has a molecular weight of 533.55 g/mol, XLogP of 7.37, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-phenylphenyl)-5-[hex-3-enyl(2-phenylethyl)amino]pentanamide is sourced from PubChem (CID 57015083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).