N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide

C18H19N3O3 — CID 108907739

IUPACN-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(/C=C/NC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)20-15-4-3-5-16(12-15)21-18(23)19-11-10-14-6-8-17(24-2)9-7-14/h3-12H,1-2H3,(H,20,22)(H2,19,21,23)/b11-10+
InChIKeyWQBOBBSEUKZUSW-ZHACJKMWSA-N
MW325.37 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide

N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide (PubChem CID 108907739) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
PubChem CID108907739
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
SMILESCOc1ccc(/C=C/NC(=O)Nc2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)20-15-4-3-5-16(12-15)21-18(23)19-11-10-14-6-8-17(24-2)9-7-14/h3-12H,1-2H3,(H,20,22)(H2,19,21,23)/b11-10+
InChIKeyWQBOBBSEUKZUSW-ZHACJKMWSA-N
XLogP3.45
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
1-(1,3-benzodioxol-5-yl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907811
1-(3,4-diethoxyphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907679
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108905776
1-(2-ethylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907781
1-(3,4-dimethoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907165
1-(2-amino-5-methylphenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907850
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108907604

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide (CID 108907739) is N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide is COc1ccc(/C=C/NC(=O)Nc2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is WQBOBBSEUKZUSW-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)20-15-4-3-5-16(12-15)21-18(23)19-11-10-14-6-8-17(24-2)9-7-14/h3-12H,1-2H3,(H,20,22)(H2,19,21,23)/b11-10+.
What are the key properties of N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide?
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108907739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).