N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide

C13H17N3O2 — CID 108909956

IUPACN-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NC=C(C)C)c1
InChIInChI=1S/C13H17N3O2/c1-9(2)8-14-13(18)16-12-6-4-5-11(7-12)15-10(3)17/h4-8H,1-3H3,(H,15,17)(H2,14,16,18)
InChIKeyJJHYVCWHCOSJRY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.69
Rot. Bonds3

About N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide

N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide (PubChem CID 108909956) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
PubChem CID108909956
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NC=C(C)C)c1
InChIInChI=1S/C13H17N3O2/c1-9(2)8-14-13(18)16-12-6-4-5-11(7-12)15-10(3)17/h4-8H,1-3H3,(H,15,17)(H2,14,16,18)
InChIKeyJJHYVCWHCOSJRY-UHFFFAOYSA-N
XLogP2.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644
N-[3-[[(E)-2-phenylethenyl]carbamoylamino]phenyl]acetamide
CID 108903270
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
1-(3-hydroxyphenyl)-3-[(E)-2,3,3-trimethylbut-1-enyl]urea
CID 108914921
N-[3-[[(E)-2-(4-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetamide
CID 108907739
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
N-[(3-acetamidophenyl)carbamoyl]-4-aminobenzamide
CID 108884186
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide (CID 108909956) is N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NC=C(C)C)c1.
What is the InChIKey of N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide?
The InChIKey is JJHYVCWHCOSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)8-14-13(18)16-12-6-4-5-11(7-12)15-10(3)17/h4-8H,1-3H3,(H,15,17)(H2,14,16,18).
What are the key properties of N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide?
N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylprop-1-enylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 108909956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).