N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide

C12H15N3O2 — CID 169465819

IUPACN-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H15N3O2/c1-9(16)14-7-3-5-10-4-2-6-11(8-10)15-12(13)17/h2-6,8H,7H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyPHAKHEMZRSGJGA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.33
Rot. Bonds4

About N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide

N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide (PubChem CID 169465819) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
PubChem CID169465819
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc(NC(N)=O)c1
InChIInChI=1S/C12H15N3O2/c1-9(16)14-7-3-5-10-4-2-6-11(8-10)15-12(13)17/h2-6,8H,7H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyPHAKHEMZRSGJGA-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
CID 169466624
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
CID 169465674
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
3-(3-acetamidophenyl)prop-2-enamide
CID 169482180
N-[3-[[[(E)-3-phenylprop-2-enyl]carbamoylamino]methyl]phenyl]acetamide
CID 75533226
N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]acetamide
CID 169465509
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438
4-acetamido-N-[3-[(E)-3-hydroxyprop-1-enyl]phenyl]benzamide
CID 67712801

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide (CID 169465819) is N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc(NC(N)=O)c1.
What is the InChIKey of N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide?
The InChIKey is PHAKHEMZRSGJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)14-7-3-5-10-4-2-6-11(8-10)15-12(13)17/h2-6,8H,7H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide?
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).