N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide

C18H19N3O3 — CID 108905876

IUPACN-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide
SMILESCOc1cccc(/C=C/NC(=O)N(C(C)=O)c2cccc(N)c2)c1
InChIInChI=1S/C18H19N3O3/c1-13(22)21(16-7-4-6-15(19)12-16)18(23)20-10-9-14-5-3-8-17(11-14)24-2/h3-12H,19H2,1-2H3,(H,20,23)/b10-9+
InChIKeyFAQZNMKXMUHBON-MDZDMXLPSA-N
MW325.37 g/mol
LogP3.01
Rot. Bonds4

About N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide

N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide (PubChem CID 108905876) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide
PubChem CID108905876
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide
SMILESCOc1cccc(/C=C/NC(=O)N(C(C)=O)c2cccc(N)c2)c1
InChIInChI=1S/C18H19N3O3/c1-13(22)21(16-7-4-6-15(19)12-16)18(23)20-10-9-14-5-3-8-17(11-14)24-2/h3-12H,19H2,1-2H3,(H,20,23)/b10-9+
InChIKeyFAQZNMKXMUHBON-MDZDMXLPSA-N
XLogP3.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[[(E)-2-(4-bromophenyl)ethenyl]carbamoyl]acetamide
CID 108908852
1-ethyl-3-[(E)-2-(3-methoxyphenyl)ethenyl]-1-(3-methylphenyl)urea
CID 108905972
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
1-[2-(dimethylamino)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905907
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
1-benzhydryl-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905741
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
N-(3-aminophenyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895501
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
5-(3-methoxyphenyl)penta-2,4-dienamide;hydrochloride
CID 141059857
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108906014

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide?
The IUPAC name of N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide (CID 108905876) is N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide.
What is the SMILES notation for N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide?
The canonical SMILES for N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide is COc1cccc(/C=C/NC(=O)N(C(C)=O)c2cccc(N)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide?
The InChIKey is FAQZNMKXMUHBON-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)21(16-7-4-6-15(19)12-16)18(23)20-10-9-14-5-3-8-17(11-14)24-2/h3-12H,19H2,1-2H3,(H,20,23)/b10-9+.
What are the key properties of N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide?
N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoyl]acetamide is sourced from PubChem (CID 108905876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).