2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide

C15H21N3O2 — CID 54255659

IUPAC2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)Cc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-5-9-18(4)14(19)11-12-7-6-8-13(10-12)16-15(20)17(2)3/h5-8,10H,1,9,11H2,2-4H3,(H,16,20)
InChIKeyQZWQMDYTQIRUNX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.97
Rot. Bonds5

About 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide

2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide (PubChem CID 54255659) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
PubChem CID54255659
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide
SMILESC=CCN(C)C(=O)Cc1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C15H21N3O2/c1-5-9-18(4)14(19)11-12-7-6-8-13(10-12)16-15(20)17(2)3/h5-8,10H,1,9,11H2,2-4H3,(H,16,20)
InChIKeyQZWQMDYTQIRUNX-UHFFFAOYSA-N
XLogP1.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylcarbamoylamino)phenyl]-N-methylacetamide
CID 54207621
3-[3-[(2E,4Z)-2-(dimethylamino)hexa-2,4-dienyl]phenyl]-1,1-dimethylurea
CID 129065693
3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
CID 56794238
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
1-methyl-3-[[3-(propan-2-ylamino)phenyl]methyl]-1-prop-2-enylurea
CID 86817397
1,1-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 70150186
N-[(2,6-dichlorophenyl)methyl]-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54358571
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
3-[3-[bis(prop-2-enyl)carbamoylamino]phenyl]propanoic acid
CID 115340495
2-[3-(dimethylcarbamoylamino)phenyl]-N-(4-nitrophenyl)acetamide
CID 54274791
2-[3-[[benzyl(prop-2-enyl)carbamoyl]amino]phenoxy]-N,N-dimethylacetamide
CID 51118808
3-[3-(4-cyclopentylbutyl)phenyl]-1,1-dimethylurea
CID 86029500

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide (CID 54255659) is 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide is C=CCN(C)C(=O)Cc1cccc(NC(=O)N(C)C)c1.
What is the InChIKey of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide?
The InChIKey is QZWQMDYTQIRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-9-18(4)14(19)11-12-7-6-8-13(10-12)16-15(20)17(2)3/h5-8,10H,1,9,11H2,2-4H3,(H,16,20).
What are the key properties of 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide?
2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide has a molecular weight of 275.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylcarbamoylamino)phenyl]-N-methyl-N-prop-2-enylacetamide is sourced from PubChem (CID 54255659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).