N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide

C20H26N2O — CID 109019406

IUPACN-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCCN(C(=O)CCNCc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C20H26N2O/c1-4-22(19-11-7-8-16(2)14-19)20(23)12-13-21-15-18-10-6-5-9-17(18)3/h5-11,14,21H,4,12-13,15H2,1-3H3
InChIKeyDOAMGFDQQWWYOU-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.84
Rot. Bonds7

About N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide

N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide (PubChem CID 109019406) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
PubChem CID109019406
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
SMILESCCN(C(=O)CCNCc1ccccc1C)c1cccc(C)c1
InChIInChI=1S/C20H26N2O/c1-4-22(19-11-7-8-16(2)14-19)20(23)12-13-21-15-18-10-6-5-9-17(18)3/h5-11,14,21H,4,12-13,15H2,1-3H3
InChIKeyDOAMGFDQQWWYOU-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024080
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
N-methyl-3-[(2-methylphenyl)methylamino]-N-phenylpropanamide
CID 109019309
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
1-ethyl-1-(3-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108899788
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138845
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
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2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108994566

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide (CID 109019406) is N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide is CCN(C(=O)CCNCc1ccccc1C)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
The InChIKey is DOAMGFDQQWWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-4-22(19-11-7-8-16(2)14-19)20(23)12-13-21-15-18-10-6-5-9-17(18)3/h5-11,14,21H,4,12-13,15H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide?
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide has a molecular weight of 310.44 g/mol, XLogP of 3.84, 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-[(2-methylphenyl)methylamino]propanamide is sourced from PubChem (CID 109019406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).