5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide

C15H22N2O — CID 102705822

IUPAC5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H22N2O/c1-5-7-17(8-6-2)15(18)13-10-14(16)12(4)9-11(13)3/h5,9-10H,1,6-8,16H2,2-4H3
InChIKeyWTJQYZTVGFWJHJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.92
Rot. Bonds5

About 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide

5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide (PubChem CID 102705822) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
PubChem CID102705822
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C15H22N2O/c1-5-7-17(8-6-2)15(18)13-10-14(16)12(4)9-11(13)3/h5,9-10H,1,6-8,16H2,2-4H3
InChIKeyWTJQYZTVGFWJHJ-UHFFFAOYSA-N
XLogP2.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
5-amino-2,4-dimethyl-N,N-bis(2-methylpropyl)benzamide
CID 102705085
5-amino-N-(2-cyanoethyl)-N-ethyl-2,4-dimethylbenzamide
CID 102705262
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
4-bromo-N-prop-2-enyl-N-propyl-2-(trifluoromethyl)benzamide
CID 107332937
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
2-amino-5-methyl-N,N-dipropylbenzamide
CID 62073624
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
4-fluoro-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylbenzamide
CID 115776016
5-amino-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide (CID 102705822) is 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide is C=CCN(CCC)C(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide?
The InChIKey is WTJQYZTVGFWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-7-17(8-6-2)15(18)13-10-14(16)12(4)9-11(13)3/h5,9-10H,1,6-8,16H2,2-4H3.
What are the key properties of 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide?
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide is sourced from PubChem (CID 102705822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).