N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide

C17H17N3O2 — CID 108903270

IUPACN-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)N/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17N3O2/c1-13(21)19-15-8-5-9-16(12-15)20-17(22)18-11-10-14-6-3-2-4-7-14/h2-12H,1H3,(H,19,21)(H2,18,20,22)/b11-10+
InChIKeyXWSNHMJDCANTOE-ZHACJKMWSA-N
MW295.34 g/mol
LogP3.44
Rot. Bonds4

About N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide

N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide (PubChem CID 108903270) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
PubChem CID108903270
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)N/C=C/c2ccccc2)c1
InChIInChI=1S/C17H17N3O2/c1-13(21)19-15-8-5-9-16(12-15)20-17(22)18-11-10-14-6-3-2-4-7-14/h2-12H,1H3,(H,19,21)(H2,18,20,22)/b11-10+
InChIKeyXWSNHMJDCANTOE-ZHACJKMWSA-N
XLogP3.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
1-(3-fluorophenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903344
N-(2-phenylethenyl)acetamide
CID 54032077
3-[[(E)-2-(3-bromophenyl)ethenyl]carbamoylamino]benzoic acid
CID 108906795
N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
CID 108909956
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-phenylurea
CID 108908068
1-[(E)-2-(3-fluorophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108906051
1-[3-(dimethylamino)phenyl]-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905529
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
1-(4-phenoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903164
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)urea
CID 108908654
1-[(E)-2-(3-bromophenyl)ethenyl]-3-naphthalen-2-ylurea
CID 108907013

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide (CID 108903270) is N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)N/C=C/c2ccccc2)c1.
What is the InChIKey of N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is XWSNHMJDCANTOE-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13(21)19-15-8-5-9-16(12-15)20-17(22)18-11-10-14-6-3-2-4-7-14/h2-12H,1H3,(H,19,21)(H2,18,20,22)/b11-10+.
What are the key properties of N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide?
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 108903270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).