N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine

C27H28N2O — CID 143237401

IUPACN-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine
SMILESC/C=C\C(=C/C=C/c1ccc(Nc2ccc(C)cc2)cc1)N(O)c1ccc(C)cc1
InChIInChI=1S/C27H28N2O/c1-4-6-26(29(30)27-19-11-22(3)12-20-27)8-5-7-23-13-17-25(18-14-23)28-24-15-9-21(2)10-16-24/h4-20,28,30H,1-3H3/b6-4-,7-5+,26-8+
InChIKeyCFJUKBNSKLYAMZ-GRBGYMRZSA-N
MW396.53 g/mol
LogP7.42
Rot. Bonds7

About N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine

N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine (PubChem CID 143237401) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine
PubChem CID143237401
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC NameN-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine
SMILESC/C=C\C(=C/C=C/c1ccc(Nc2ccc(C)cc2)cc1)N(O)c1ccc(C)cc1
InChIInChI=1S/C27H28N2O/c1-4-6-26(29(30)27-19-11-22(3)12-20-27)8-5-7-23-13-17-25(18-14-23)28-24-15-9-21(2)10-16-24/h4-20,28,30H,1-3H3/b6-4-,7-5+,26-8+
InChIKeyCFJUKBNSKLYAMZ-GRBGYMRZSA-N
XLogP7.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetamide
CID 125464018
N,N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methylaniline;N,N-bis[4-(2,2-diphenylethenyl)phenyl]-4-methylaniline;4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-(4-methoxyphenyl)aniline;4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]-N-phenylaniline
CID 90960262
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-tert-butylaniline
CID 23517911
3-[(E)-2-[4-(4-methylanilino)phenyl]ethenyl]phenol
CID 67605326
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline
CID 89342874
1-methyl-4-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]benzene
CID 142964933
4-methyl-N-(4-methylphenyl)-N-[4-[2-[4-(4-prop-1-enylphenyl)phenyl]ethenyl]phenyl]aniline
CID 58785033
1-methyl-4-[3,7,12,16-tetramethyl-18-(4-methylphenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]benzene
CID 153329326
(E)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enal
CID 58898607
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine?
The IUPAC name of N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine (CID 143237401) is N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine.
What is the SMILES notation for N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine?
The canonical SMILES for N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine is C/C=C\C(=C/C=C/c1ccc(Nc2ccc(C)cc2)cc1)N(O)c1ccc(C)cc1.
What is the InChIKey of N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine?
The InChIKey is CFJUKBNSKLYAMZ-GRBGYMRZSA-N. The full InChI is InChI=1S/C27H28N2O/c1-4-6-26(29(30)27-19-11-22(3)12-20-27)8-5-7-23-13-17-25(18-14-23)28-24-15-9-21(2)10-16-24/h4-20,28,30H,1-3H3/b6-4-,7-5+,26-8+.
What are the key properties of N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine?
N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine has a molecular weight of 396.53 g/mol, XLogP of 7.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E,5Z)-1-[4-(4-methylanilino)phenyl]hepta-1,3,5-trien-4-yl]-N-(4-methylphenyl)hydroxylamine is sourced from PubChem (CID 143237401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).