N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide

C20H22N2O2 — CID 74015252

IUPACN-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
SMILESCOC(CC=CC=CC(=O)Nc1ccccc1N)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-24-19(16-10-4-2-5-11-16)14-6-3-7-15-20(23)22-18-13-9-8-12-17(18)21/h2-13,15,19H,14,21H2,1H3,(H,22,23)
InChIKeyMTNFAKSTLVNPAS-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.10
Rot. Bonds7

About N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide

N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide (PubChem CID 74015252) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
PubChem CID74015252
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide
SMILESCOC(CC=CC=CC(=O)Nc1ccccc1N)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-24-19(16-10-4-2-5-11-16)14-6-3-7-15-20(23)22-18-13-9-8-12-17(18)21/h2-13,15,19H,14,21H2,1H3,(H,22,23)
InChIKeyMTNFAKSTLVNPAS-UHFFFAOYSA-N
XLogP4.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-amino-3-pyridinyl)-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 87518782
7-methoxy-7-phenylhepta-2,4-dienoic acid
CID 74015255
7-methoxy-7-phenylhepta-2,4-dienoyl chloride
CID 91213709
N-hydroxy-7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienamide
CID 74015257
N-(2-aminophenyl)-7-methoxy-7-(4-methoxyphenyl)-6,6-dimethylhepta-2,4-dienamide
CID 74015249
(E)-N-(2-aminophenyl)-4-methylpent-2-enamide
CID 59715941
7-methoxy-7-(4-methoxyphenyl)hepta-2,4-dienoic acid;hydrochloride
CID 173099337
(E,5R)-N-(2-aminophenyl)-5-hydroxy-5-(3-hydroxy-4-methoxyphenyl)pent-2-enamide
CID 23948201
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(2-aminophenyl)-1-phosphanylformamide;ethane
CID 90955856

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide?
The IUPAC name of N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide (CID 74015252) is N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide.
What is the SMILES notation for N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide?
The canonical SMILES for N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide is COC(CC=CC=CC(=O)Nc1ccccc1N)c1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide?
The InChIKey is MTNFAKSTLVNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-19(16-10-4-2-5-11-16)14-6-3-7-15-20(23)22-18-13-9-8-12-17(18)21/h2-13,15,19H,14,21H2,1H3,(H,22,23).
What are the key properties of N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide?
N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide has a molecular weight of 322.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-7-methoxy-7-phenylhepta-2,4-dienamide is sourced from PubChem (CID 74015252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).