N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide

C24H25N3O3 — CID 21280982

IUPACN-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide
SMILESC=CCOc1cc(C/C(C#N)=C/Nc2ccccc2)cc(OCC=C)c1NC(C)=O
InChIInChI=1S/C24H25N3O3/c1-4-11-29-22-14-19(15-23(30-12-5-2)24(22)27-18(3)28)13-20(16-25)17-26-21-9-7-6-8-10-21/h4-10,14-15,17,26H,1-2,11-13H2,3H3,(H,27,28)/b20-17-
InChIKeyVPVIUOWVUKVXBL-JZJYNLBNSA-N
MW403.48 g/mol
LogP4.84
Rot. Bonds11

About N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide

N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide (PubChem CID 21280982) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide
PubChem CID21280982
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide
SMILESC=CCOc1cc(C/C(C#N)=C/Nc2ccccc2)cc(OCC=C)c1NC(C)=O
InChIInChI=1S/C24H25N3O3/c1-4-11-29-22-14-19(15-23(30-12-5-2)24(22)27-18(3)28)13-20(16-25)17-26-21-9-7-6-8-10-21/h4-10,14-15,17,26H,1-2,11-13H2,3H3,(H,27,28)/b20-17-
InChIKeyVPVIUOWVUKVXBL-JZJYNLBNSA-N
XLogP4.84
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-2-[(3,5-dimethoxy-4-pyrrol-1-ylphenyl)methyl]prop-2-enenitrile
CID 70418543
2-[(4-amino-3,5-dimethylphenyl)methyl]-3-anilinoprop-2-enenitrile
CID 70418802
N-(3-phenylmethoxy-4-prop-2-enylphenyl)acetamide
CID 18973919
4-[(E)-2-(4-methyl-3-prop-2-enoxyphenyl)ethenyl]-N-(1-phenylethenyl)aniline
CID 145343110
(E)-2-cyano-3-(3,5-dibromo-2-prop-2-enoxyphenyl)-N-phenylprop-2-enamide
CID 126054232
N-[3-[2-[[N'-methyl-N-[(2-prop-2-enoxyphenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111556211
(Z)-3-(4-acetamidoanilino)-N-(3-acetylphenyl)-2-cyanoprop-2-enamide
CID 108856600
bis[(2-prop-2-enoxyphenyl)methyl] carbonate
CID 129103920
4-methyl-3-prop-2-enoxybenzoic acid
CID 23510414
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
methyl 4-(2,2-dicyanoethenylamino)-3-iodo-5-phenylmethoxybenzoate
CID 168542705
(Z)-3-anilino-2-cyano-N-(3-hydroxyphenyl)prop-2-enamide
CID 108816953

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide?
The IUPAC name of N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide (CID 21280982) is N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide is C=CCOc1cc(C/C(C#N)=C/Nc2ccccc2)cc(OCC=C)c1NC(C)=O.
What is the InChIKey of N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide?
The InChIKey is VPVIUOWVUKVXBL-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-4-11-29-22-14-19(15-23(30-12-5-2)24(22)27-18(3)28)13-20(16-25)17-26-21-9-7-6-8-10-21/h4-10,14-15,17,26H,1-2,11-13H2,3H3,(H,27,28)/b20-17-.
What are the key properties of N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide?
N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 4.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-3-anilino-2-cyanoprop-2-enyl]-2,6-bis(prop-2-enoxy)phenyl]acetamide is sourced from PubChem (CID 21280982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).