N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide

C11H15N3O2 — CID 129095419

IUPACN-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
SMILESCNC(=O)Nc1cc(C)cc(NC(C)=O)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-9(13-8(2)15)6-10(5-7)14-11(16)12-3/h4-6H,1-3H3,(H,13,15)(H2,12,14,16)
InChIKeyMIZFDKLNKPTVPT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.70
Rot. Bonds2

About N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide

N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide (PubChem CID 129095419) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
PubChem CID129095419
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide
SMILESCNC(=O)Nc1cc(C)cc(NC(C)=O)c1
InChIInChI=1S/C11H15N3O2/c1-7-4-9(13-8(2)15)6-10(5-7)14-11(16)12-3/h4-6H,1-3H3,(H,13,15)(H2,12,14,16)
InChIKeyMIZFDKLNKPTVPT-UHFFFAOYSA-N
XLogP1.70
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-(3-methyl-5-sulfanylphenyl)acetamide
CID 59114064
1-[3-cyano-5-(methylcarbamoylamino)phenyl]-3-methylurea
CID 175053322
1-[3-(4-hydroxybut-1-ynyl)-5-methylphenyl]-3-methylurea
CID 107578948
1-methyl-3-(4-methylphenyl)urea;molecular hydrogen
CID 142308386
1-[3-(1,1-diaminopropan-2-yl)-5-(methylcarbamoylamino)phenyl]-3-methylurea
CID 174941212
1-tert-butyl-3-(3,5-dimethylphenyl)urea
CID 6469320
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
1-[3-(1,3-diaminopropan-2-yl)-5-(methylcarbamoylamino)phenyl]-3-methylurea
CID 174941203
N-(3-methylphenyl)acetamide
CID 10843
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide (CID 129095419) is N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide is CNC(=O)Nc1cc(C)cc(NC(C)=O)c1.
What is the InChIKey of N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide?
The InChIKey is MIZFDKLNKPTVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-4-9(13-8(2)15)6-10(5-7)14-11(16)12-3/h4-6H,1-3H3,(H,13,15)(H2,12,14,16).
What are the key properties of N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide?
N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide has a molecular weight of 221.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(methylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 129095419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).