5-amino-N-methyl-2-(prop-2-enylamino)benzamide

C11H15N3O — CID 100639501

IUPAC5-amino-N-methyl-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccc(N)cc1C(=O)NC
InChIInChI=1S/C11H15N3O/c1-3-6-14-10-5-4-8(12)7-9(10)11(15)13-2/h3-5,7,14H,1,6,12H2,2H3,(H,13,15)
InChIKeyWITVIBBSYFURFY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.23
Rot. Bonds4

About 5-amino-N-methyl-2-(prop-2-enylamino)benzamide

5-amino-N-methyl-2-(prop-2-enylamino)benzamide (PubChem CID 100639501) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-amino-N-methyl-2-(prop-2-enylamino)benzamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-(prop-2-enylamino)benzamide
PubChem CID100639501
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-amino-N-methyl-2-(prop-2-enylamino)benzamide
SMILESC=CCNc1ccc(N)cc1C(=O)NC
InChIInChI=1S/C11H15N3O/c1-3-6-14-10-5-4-8(12)7-9(10)11(15)13-2/h3-5,7,14H,1,6,12H2,2H3,(H,13,15)
InChIKeyWITVIBBSYFURFY-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(ethylamino)-N-methylbenzamide
CID 100637917
5-amino-N-(2-methoxyethyl)-2-(prop-2-enylamino)benzamide
CID 100639598
5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
CID 100653033
2-chloro-1-N-prop-2-enylbenzene-1,4-diamine
CID 15219986
5-amino-2-(cyclopropylamino)-N-methylbenzamide
CID 100639685
2-iodo-1-N-prop-2-enylbenzene-1,4-diamine
CID 66094796
5-amino-N-methyl-2-(2-morpholin-4-ylethylamino)benzamide
CID 100655710
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
[4-amino-2-(prop-2-enylamino)phenyl] methanesulfonate
CID 123228750
2-(prop-2-enylamino)-5-sulfamoylbenzoic acid
CID 43088442
methyl 5-methyl-2-(prop-2-enylamino)benzoate
CID 45089729

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-(prop-2-enylamino)benzamide?
The IUPAC name of 5-amino-N-methyl-2-(prop-2-enylamino)benzamide (CID 100639501) is 5-amino-N-methyl-2-(prop-2-enylamino)benzamide.
What is the SMILES notation for 5-amino-N-methyl-2-(prop-2-enylamino)benzamide?
The canonical SMILES for 5-amino-N-methyl-2-(prop-2-enylamino)benzamide is C=CCNc1ccc(N)cc1C(=O)NC.
What is the InChIKey of 5-amino-N-methyl-2-(prop-2-enylamino)benzamide?
The InChIKey is WITVIBBSYFURFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-6-14-10-5-4-8(12)7-9(10)11(15)13-2/h3-5,7,14H,1,6,12H2,2H3,(H,13,15).
What are the key properties of 5-amino-N-methyl-2-(prop-2-enylamino)benzamide?
5-amino-N-methyl-2-(prop-2-enylamino)benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-(prop-2-enylamino)benzamide is sourced from PubChem (CID 100639501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).