N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide

C23H28N2O3 — CID 74015249

IUPACN-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
SMILESCOc1ccc(C(OC)C(C)(C)C=CC=CC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,22(28-4)17-12-14-18(27-3)15-13-17)16-8-7-11-21(26)25-20-10-6-5-9-19(20)24/h5-16,22H,24H2,1-4H3,(H,25,26)
InChIKeyRJVJWOFFJUSMIF-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.74
Rot. Bonds8

About N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide

N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide (PubChem CID 74015249) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
PubChem CID74015249
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
SMILESCOc1ccc(C(OC)C(C)(C)C=CC=CC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C23H28N2O3/c1-23(2,22(28-4)17-12-14-18(27-3)15-13-17)16-8-7-11-21(26)25-20-10-6-5-9-19(20)24/h5-16,22H,24H2,1-4H3,(H,25,26)
InChIKeyRJVJWOFFJUSMIF-UHFFFAOYSA-N
XLogP4.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015246
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
CID 74015252
ethyl 5-methoxy-5-(4-methoxyphenyl)-4,4-dimethylpent-2-enoate
CID 68621070
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 87518782
N-(2-aminophenyl)-3-[2-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]prop-2-enamide
CID 66893848
[(E,1S)-5-(2-aminoanilino)-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethyl-5-oxopent-3-enyl] N-(4-cyanophenyl)carbamate
CID 23892998
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 30377596

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
The IUPAC name of N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide (CID 74015249) is N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide.
What is the SMILES notation for N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
The canonical SMILES for N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide is COc1ccc(C(OC)C(C)(C)C=CC=CC(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
The InChIKey is RJVJWOFFJUSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,22(28-4)17-12-14-18(27-3)15-13-17)16-8-7-11-21(26)25-20-10-6-5-9-19(20)24/h5-16,22H,24H2,1-4H3,(H,25,26).
What are the key properties of N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide?
N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide has a molecular weight of 380.49 g/mol, XLogP of 4.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide is sourced from PubChem (CID 74015249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).