5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide

C14H18N2O — CID 61291356

IUPAC5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H18N2O/c1-4-8-16(9-5-2)14(17)13-10-12(15)7-6-11(13)3/h4-7,10H,1-2,8-9,15H2,3H3
InChIKeyQLIZLYIAIRWDGU-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.39
Rot. Bonds5

About 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide

5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide (PubChem CID 61291356) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
PubChem CID61291356
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C14H18N2O/c1-4-8-16(9-5-2)14(17)13-10-12(15)7-6-11(13)3/h4-7,10H,1-2,8-9,15H2,3H3
InChIKeyQLIZLYIAIRWDGU-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.39
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-N-(cyclohexylmethyl)-2-methyl-N-prop-2-enylbenzamide
CID 120632735
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
CID 102705822
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
CID 82959703
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
N,2-dimethyl-N-prop-2-enyl-5-sulfanylbenzamide
CID 107033475
1-(5-amino-2-methylphenyl)-2-chloroethanone
CID 88924641
5-amino-N-(cyclopropylmethyl)-2-methyl-N-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 120638824
5-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 120636103
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide (CID 61291356) is 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is QLIZLYIAIRWDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-4-8-16(9-5-2)14(17)13-10-12(15)7-6-11(13)3/h4-7,10H,1-2,8-9,15H2,3H3.
What are the key properties of 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide?
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 230.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 61291356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).