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

C14H22N2O — CID 62325702

IUPACN-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
SMILESCCNC(=O)CCNCCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-3-16-14(17)8-10-15-9-7-13-6-4-5-12(2)11-13/h4-6,11,15H,3,7-10H2,1-2H3,(H,16,17)
InChIKeyAZYVGSFKWQXRND-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.65
Rot. Bonds7

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

N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide (PubChem CID 62325702) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
PubChem CID62325702
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
SMILESCCNC(=O)CCNCCc1cccc(C)c1
InChIInChI=1S/C14H22N2O/c1-3-16-14(17)8-10-15-9-7-13-6-4-5-12(2)11-13/h4-6,11,15H,3,7-10H2,1-2H3,(H,16,17)
InChIKeyAZYVGSFKWQXRND-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N,N-dimethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 55062373
N-[2-(3-chlorophenyl)ethyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019632
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
5-hydroxy-N-[2-(3-methylphenyl)ethyl]pentanamide
CID 79199375
6-[2-(3-methylphenyl)ethylamino]-6-oxohexanoic acid
CID 62315187
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
3-[2-(3-chlorophenyl)ethylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 109019799
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
3-[2-(3-chlorophenyl)ethylamino]-N-pentylpropanamide
CID 109032115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide?
The IUPAC name of N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide (CID 62325702) is N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide?
The canonical SMILES for N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide is CCNC(=O)CCNCCc1cccc(C)c1.
What is the InChIKey of N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide?
The InChIKey is AZYVGSFKWQXRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16-14(17)8-10-15-9-7-13-6-4-5-12(2)11-13/h4-6,11,15H,3,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide?
N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 62325702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).