N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide

C15H22N2O — CID 109012170

IUPACN-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N2O/c1-4-10-16-11-9-15(18)17(5-2)14-8-6-7-13(3)12-14/h4,6-8,12,16H,1,5,9-11H2,2-3H3
InChIKeyUDICHNLVGFIPTI-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.51
Rot. Bonds7

About N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide

N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide (PubChem CID 109012170) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
PubChem CID109012170
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
SMILESC=CCNCCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C15H22N2O/c1-4-10-16-11-9-15(18)17(5-2)14-8-6-7-13(3)12-14/h4,6-8,12,16H,1,5,9-11H2,2-3H3
InChIKeyUDICHNLVGFIPTI-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024080
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566
ethyl 4-(N-ethyl-3-methylanilino)-4-oxobutanoate
CID 60737731
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide (CID 109012170) is N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide is C=CCNCCC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide?
The InChIKey is UDICHNLVGFIPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-10-16-11-9-15(18)17(5-2)14-8-6-7-13(3)12-14/h4,6-8,12,16H,1,5,9-11H2,2-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide?
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide has a molecular weight of 246.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide is sourced from PubChem (CID 109012170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).