N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide

C26H27NO2 — CID 89180965

IUPACN-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide
SMILESC=CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C=O)Cc1ccc(OC)cc1
InChIInChI=1S/C26H27NO2/c1-3-7-25(27(20-28)19-22-12-16-26(29-2)17-13-22)18-21-10-14-24(15-11-21)23-8-5-4-6-9-23/h3-6,8-17,20,25H,1,7,18-19H2,2H3/t25-/m0/s1
InChIKeyJZOQJBVLIZKPSQ-VWLOTQADSA-N
MW385.51 g/mol
LogP5.51
Rot. Bonds10

About N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide

N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide (PubChem CID 89180965) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide
PubChem CID89180965
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide
SMILESC=CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C=O)Cc1ccc(OC)cc1
InChIInChI=1S/C26H27NO2/c1-3-7-25(27(20-28)19-22-12-16-26(29-2)17-13-22)18-21-10-14-24(15-11-21)23-8-5-4-6-9-23/h3-6,8-17,20,25H,1,7,18-19H2,2H3/t25-/m0/s1
InChIKeyJZOQJBVLIZKPSQ-VWLOTQADSA-N
XLogP5.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
(2R)-N,N-dibenzyl-1-phenylpent-4-en-2-amine
CID 162403052
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
(2R)-N,N-dimethyl-1-phenylpent-4-en-2-amine
CID 129395248
2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
3-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanoic acid
CID 133241025
bicyclo[2.2.0]hexa-1,3,5-triene;3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 175236429
(2S)-N,N-bis[(4-methoxyphenyl)methyl]pent-4-ene-2-sulfonamide
CID 118903716
4-methoxy-N-(2-methylpropyl)-N-[(4-phenylphenyl)methyl]aniline
CID 154621372
N-(2,2-dimethylpropyl)-4-methoxy-N-[(4-phenylphenyl)methyl]aniline
CID 138519701
N,N-bis[(4-methoxyphenyl)methyl]-2-methylpent-4-ene-1-sulfinamide
CID 137398530
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide (CID 89180965) is N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide is C=CC[C@@H](Cc1ccc(-c2ccccc2)cc1)N(C=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide?
The InChIKey is JZOQJBVLIZKPSQ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27NO2/c1-3-7-25(27(20-28)19-22-12-16-26(29-2)17-13-22)18-21-10-14-24(15-11-21)23-8-5-4-6-9-23/h3-6,8-17,20,25H,1,7,18-19H2,2H3/t25-/m0/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide?
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide has a molecular weight of 385.51 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-(4-phenylphenyl)pent-4-en-2-yl]formamide is sourced from PubChem (CID 89180965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).