N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide

C16H24N2O — CID 63107590

IUPACN-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccccc1NC(C)C
InChIInChI=1S/C16H24N2O/c1-6-18(11-12(2)3)16(19)14-9-7-8-10-15(14)17-13(4)5/h7-10,13,17H,2,6,11H2,1,3-5H3
InChIKeyJFZMVUXFGWEFOS-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.55
Rot. Bonds6

About N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide

N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide (PubChem CID 63107590) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide
PubChem CID63107590
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccccc1NC(C)C
InChIInChI=1S/C16H24N2O/c1-6-18(11-12(2)3)16(19)14-9-7-8-10-15(14)17-13(4)5/h7-10,13,17H,2,6,11H2,1,3-5H3
InChIKeyJFZMVUXFGWEFOS-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.55
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

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(propan-2-ylamino)benzamide
CID 79378834
N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)benzamide
CID 107400011
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
2-(ethenylamino)-N,N-diethylbenzamide
CID 10932915
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-ethyl-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 79469822
N-[2-[ethyl(methyl)amino]ethyl]-2-(propan-2-ylamino)benzamide
CID 63108506
N-methyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 55177472
N-ethyl-2-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 55177278
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N,N-diethyl-2-formamidobenzamide
CID 168652158
2-(propan-2-ylamino)-N-prop-2-enylbenzamide
CID 63101364

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide (CID 63107590) is N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide is C=C(C)CN(CC)C(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is JFZMVUXFGWEFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-6-18(11-12(2)3)16(19)14-9-7-8-10-15(14)17-13(4)5/h7-10,13,17H,2,6,11H2,1,3-5H3.
What are the key properties of N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide?
N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 260.38 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylprop-2-enyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).