N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide

C26H25N3O3 — CID 23283338

IUPACN-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C26H25N3O3/c1-3-15-32-23-14-11-21(16-24(23)31-2)25(29-22-12-9-19(17-27)10-13-22)26(30)28-18-20-7-5-4-6-8-20/h3-14,16,25,29H,1,15,18H2,2H3,(H,28,30)
InChIKeyHCMFKHDTCWIYIP-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.60
Rot. Bonds10

About N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide

N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide (PubChem CID 23283338) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide
PubChem CID23283338
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C26H25N3O3/c1-3-15-32-23-14-11-21(16-24(23)31-2)25(29-22-12-9-19(17-27)10-13-22)26(30)28-18-20-7-5-4-6-8-20/h3-14,16,25,29H,1,15,18H2,2H3,(H,28,30)
InChIKeyHCMFKHDTCWIYIP-UHFFFAOYSA-N
XLogP4.60
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-[(3-phenoxyphenyl)methoxy]phenyl]acetamide
CID 23283646
(2S)-N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-(quinolin-7-ylmethoxy)phenyl]acetamide
CID 70004084
N-benzyl-2-(4-cyanoanilino)-2-[3-methoxy-4-(quinolin-7-ylmethoxy)phenyl]acetamide
CID 23283528
(2S)-N-benzyl-2-(4-cyanoanilino)-2-(4,5-dimethoxy-2-phenylmethoxyphenyl)acetamide
CID 70003619
4-[2-[2-(benzylamino)-1-(4-cyanoanilino)-2-oxoethyl]-4,5-dimethoxyphenoxy]butanoic acid
CID 23283390
2-(4-cyanoanilino)-N-cyclopentyl-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
CID 70004150
2-(4-cyanoanilino)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)acetamide
CID 23283365
3-[[2-(4-cyanoanilino)-2-(3-methoxy-4-phenylmethoxyphenyl)acetyl]amino]benzoic acid
CID 23283388
3-[2-[2-(benzylamino)-1-(4-cyanoanilino)-2-oxoethyl]-4,5-dimethoxyphenyl]propanoic acid
CID 70004176
(2R)-N-benzyl-2-(4-cyano-2-methoxyphenoxy)propanamide
CID 7681327
acetic acid;N-benzyl-2-(4-carbamimidoylanilino)-2-[3-methoxy-4-[(4-phenylphenyl)methoxy]phenyl]acetamide
CID 70282706
2-(4-cyanoanilino)-2-(3,4-dimethoxyphenyl)acetate
CID 22040045

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide (CID 23283338) is N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide?
The InChIKey is HCMFKHDTCWIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-3-15-32-23-14-11-21(16-24(23)31-2)25(29-22-12-9-19(17-27)10-13-22)26(30)28-18-20-7-5-4-6-8-20/h3-14,16,25,29H,1,15,18H2,2H3,(H,28,30).
What are the key properties of N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide?
N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide has a molecular weight of 427.50 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-cyanoanilino)-2-(3-methoxy-4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 23283338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).