N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide

C28H26N4O — CID 102428329

IUPACN-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26N4O/c1-20(2)28(33)32-27-18-16-26(17-19-27)31-25-14-12-24(13-15-25)30-23-10-8-22(9-11-23)29-21-6-4-3-5-7-21/h3-19,29-31H,1H2,2H3,(H,32,33)
InChIKeyBOXINIYTPCWYLJ-UHFFFAOYSA-N
MW434.54 g/mol
LogP7.43
Rot. Bonds8

About N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide

N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide (PubChem CID 102428329) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
PubChem CID102428329
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC NameN-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C28H26N4O/c1-20(2)28(33)32-27-18-16-26(17-19-27)31-25-14-12-24(13-15-25)30-23-10-8-22(9-11-23)29-21-6-4-3-5-7-21/h3-19,29-31H,1H2,2H3,(H,32,33)
InChIKeyBOXINIYTPCWYLJ-UHFFFAOYSA-N
XLogP7.43
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 57.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-anilinophenyl)-2-methylprop-2-enamide
CID 67511613
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 101072014
2-[4-(2-methylprop-2-enoylamino)phenyl]sulfanyl-2-phenylacetic acid
CID 23561546
2-anilino-N-phenylprop-2-enamide
CID 20522355
4-methyl-2-methylidene-N-phenylpent-4-enamide
CID 53236011
(Z)-N-(4-anilinophenyl)-2-methylpent-2-enamide
CID 60587211
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
3-methoxy-2-[4-(2-methylprop-2-enoylamino)anilino]-3-oxopropanoic acid
CID 23561542
N-(4-anilinophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108525447
N-[4-[[3,5-bis[bis[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-[4-(2-methylprop-2-enoylamino)phenyl]bismuthanyl]phenyl]-2-methylprop-2-enamide
CID 172831017

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide (CID 102428329) is N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(Nc2ccc(Nc3ccc(Nc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide?
The InChIKey is BOXINIYTPCWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-20(2)28(33)32-27-18-16-26(17-19-27)31-25-14-12-24(13-15-25)30-23-10-8-22(9-11-23)29-21-6-4-3-5-7-21/h3-19,29-31H,1H2,2H3,(H,32,33).
What are the key properties of N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide?
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide has a molecular weight of 434.54 g/mol, XLogP of 7.43, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 102428329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).