3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide

C16H21N3O2 — CID 56794238

IUPAC3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-5-10-19(11-6-2)15(20)13-8-7-9-14(12-13)17-16(21)18(3)4/h5-9,12H,1-2,10-11H2,3-4H3,(H,17,21)
InChIKeyKQRHFCZQKXFCQB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds6

About 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide

3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 56794238) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
PubChem CID56794238
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cccc(NC(=O)N(C)C)c1
InChIInChI=1S/C16H21N3O2/c1-5-10-19(11-6-2)15(20)13-8-7-9-14(12-13)17-16(21)18(3)4/h5-9,12H,1-2,10-11H2,3-4H3,(H,17,21)
InChIKeyKQRHFCZQKXFCQB-UHFFFAOYSA-N
XLogP2.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
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-methyl-N-prop-2-enylacetamide
CID 54255659
3-methylsulfonyl-N,N-bis(prop-2-enyl)benzamide
CID 78784574
N,N-diethyl-3-(prop-2-enoylamino)benzamide
CID 43616413
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N,N-bis(prop-2-enyl)benzamide
CID 78784405
3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N-[3-(diethylcarbamoyl)phenyl]-3-(prop-2-enoylamino)benzamide
CID 141125198
3-(dimethylcarbamoylamino)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 136539124
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]propanoic acid
CID 122077697
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(prop-2-enyl)benzene-1,3,5-tricarboxamide
CID 54167300
N-(3-amino-4-methylpentyl)-3-(dimethylcarbamoylamino)-N-methylbenzamide;hydrochloride
CID 119660112
3-[[2-(methylamino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820981

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide (CID 56794238) is 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cccc(NC(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is KQRHFCZQKXFCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-10-19(11-6-2)15(20)13-8-7-9-14(12-13)17-16(21)18(3)4/h5-9,12H,1-2,10-11H2,3-4H3,(H,17,21).
What are the key properties of 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide?
3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 287.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylcarbamoylamino)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 56794238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).