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

C26H25N3O3 — CID 101072014

IUPACN-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(N(C(C)=O)c2ccc(N(C(C)=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H25N3O3/c1-18(2)26(32)27-21-10-12-23(13-11-21)29(20(4)31)25-16-14-24(15-17-25)28(19(3)30)22-8-6-5-7-9-22/h5-17H,1H2,2-4H3,(H,27,32)
InChIKeyZGTRCIGACNHNTF-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.57
Rot. Bonds6

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

N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide (PubChem CID 101072014) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
PubChem CID101072014
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)Nc1ccc(N(C(C)=O)c2ccc(N(C(C)=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H25N3O3/c1-18(2)26(32)27-21-10-12-23(13-11-21)29(20(4)31)25-16-14-24(15-17-25)28(19(3)30)22-8-6-5-7-9-22/h5-17H,1H2,2-4H3,(H,27,32)
InChIKeyZGTRCIGACNHNTF-UHFFFAOYSA-N
XLogP5.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
N-[4-[4-(4-anilinoanilino)anilino]phenyl]-2-methylprop-2-enamide
CID 102428329
methylboronic acid;2-methyl-N-phenylprop-2-enamide
CID 159528809
N-phenyl-N-(4-prop-1-en-2-ylphenyl)acetamide
CID 177099731
2-methyl-N-[4-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]prop-2-enamide
CID 58058801
N,N',N'-triphenyloxamide
CID 54357836
2-methyl-N-phenylprop-2-enamide;styrene
CID 70398128
4-(N-acetylanilino)benzoic acid
CID 138332806
2-methyl-N-[4-[N-(3-triethoxysilylbutyl)anilino]phenyl]prop-2-enamide;hydrobromide
CID 18920593
2-methyl-N-[4-[N-(3-triethoxysilylpropyl)anilino]phenyl]prop-2-enamide;hydrobromide
CID 18920589
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
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-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide (CID 101072014) is N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide is C=C(C)C(=O)Nc1ccc(N(C(C)=O)c2ccc(N(C(C)=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide?
The InChIKey is ZGTRCIGACNHNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18(2)26(32)27-21-10-12-23(13-11-21)29(20(4)31)25-16-14-24(15-17-25)28(19(3)30)22-8-6-5-7-9-22/h5-17H,1H2,2-4H3,(H,27,32).
What are the key properties of N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide?
N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide has a molecular weight of 427.50 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[N-acetyl-4-(N-acetylanilino)anilino]phenyl]-2-methylprop-2-enamide is sourced from PubChem (CID 101072014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).