2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide

C12H17N3O2 — CID 54207621

IUPAC2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C12H17N3O2/c1-13-11(16)8-9-5-4-6-10(7-9)14-12(17)15(2)3/h4-7H,8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyPTQRFOKVRGQSPT-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.07
Rot. Bonds3

About 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide

2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide (PubChem CID 54207621) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
PubChem CID54207621
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C12H17N3O2/c1-13-11(16)8-9-5-4-6-10(7-9)14-12(17)15(2)3/h4-7H,8H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyPTQRFOKVRGQSPT-UHFFFAOYSA-N
XLogP1.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
CID 54255659
3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
CID 129065693
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
2-[3-[[cyclopropyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 119075110
2-[3-(methylcarbamoylamino)phenyl]acetic acid;hydrochloride
CID 70623172
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide (CID 54207621) is 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide is CNC(=O)Cc1cccc(NC(=O)N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide?
The InChIKey is PTQRFOKVRGQSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-13-11(16)8-9-5-4-6-10(7-9)14-12(17)15(2)3/h4-7H,8H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide?
2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide has a molecular weight of 235.29 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 54207621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).