N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide

C19H21N3O2 — CID 75533226

IUPACN-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NC/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-15(23)22-18-11-5-9-17(13-18)14-21-19(24)20-12-6-10-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,22,23)(H2,20,21,24)/b10-6+
InChIKeyZMZDFMPQMGIAEJ-UXBLZVDNSA-N
MW323.40 g/mol
LogP3.16
Rot. Bonds6

About N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide

N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide (PubChem CID 75533226) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
PubChem CID75533226
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NC/C=C/c2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-15(23)22-18-11-5-9-17(13-18)14-21-19(24)20-12-6-10-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,22,23)(H2,20,21,24)/b10-6+
InChIKeyZMZDFMPQMGIAEJ-UXBLZVDNSA-N
XLogP3.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809
N-[3-[(3-methylbut-2-enylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 100700674
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
N-[4-[(3-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108898073
2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924167
N-[[3-(1-hydroxyethenylamino)phenyl]methyl]acetamide
CID 118883103
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
(E)-N-[3-(hydroxymethyl)phenyl]-5-phenylpent-4-enamide
CID 111437309
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
(2S)-N-[(3-acetamidophenyl)methyl]-3-methylsulfanyl-2-phenylpropanamide
CID 97216568
N-[3-[[(4-methylcyclohexyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 56798858

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide (CID 75533226) is N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)NC/C=C/c2ccccc2)c1.
What is the InChIKey of N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide?
The InChIKey is ZMZDFMPQMGIAEJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(23)22-18-11-5-9-17(13-18)14-21-19(24)20-12-6-10-16-7-3-2-4-8-16/h2-11,13H,12,14H2,1H3,(H,22,23)(H2,20,21,24)/b10-6+.
What are the key properties of N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide?
N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 75533226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).