N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide

C17H28N2O — CID 109032323

IUPACN-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-4-6-7-12-18-13-11-17(20)19(5-2)16-10-8-9-15(3)14-16/h8-10,14,18H,4-7,11-13H2,1-3H3
InChIKeyGYJJHEJJRIODIU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.52
Rot. Bonds9

About N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide

N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide (PubChem CID 109032323) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
PubChem CID109032323
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
SMILESCCCCCNCCC(=O)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H28N2O/c1-4-6-7-12-18-13-11-17(20)19(5-2)16-10-8-9-15(3)14-16/h8-10,14,18H,4-7,11-13H2,1-3H3
InChIKeyGYJJHEJJRIODIU-UHFFFAOYSA-N
XLogP3.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.52
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-(prop-2-enylamino)propanamide
CID 109012170
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
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-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
CID 109018740
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
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
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-(pentylamino)propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide (CID 109032323) is N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide is CCCCCNCCC(=O)N(CC)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide?
The InChIKey is GYJJHEJJRIODIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-6-7-12-18-13-11-17(20)19(5-2)16-10-8-9-15(3)14-16/h8-10,14,18H,4-7,11-13H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide?
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.52, 9 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-(pentylamino)propanamide is sourced from PubChem (CID 109032323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).