N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide

C18H23N3O — CID 109024080

IUPACN-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
SMILESCCN(C(=O)CCNCc1ccncc1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O/c1-3-21(17-6-4-5-15(2)13-17)18(22)9-12-20-14-16-7-10-19-11-8-16/h4-8,10-11,13,20H,3,9,12,14H2,1-2H3
InChIKeyMSSOHYQTXPCAIG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.92
Rot. Bonds7

About N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide

N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide (PubChem CID 109024080) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
PubChem CID109024080
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
SMILESCCN(C(=O)CCNCc1ccncc1)c1cccc(C)c1
InChIInChI=1S/C18H23N3O/c1-3-21(17-6-4-5-15(2)13-17)18(22)9-12-20-14-16-7-10-19-11-8-16/h4-8,10-11,13,20H,3,9,12,14H2,1-2H3
InChIKeyMSSOHYQTXPCAIG-UHFFFAOYSA-N
XLogP2.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N'-ethyl-N'-(3-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518298
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
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
1-N-ethyl-1-N-(3-methylphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137320
3-(2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 109035243
N,N-diethyl-3-[(3-methylphenyl)methylamino]propanamide
CID 54934589
2-N-ethyl-2-N-(3-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087593

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide (CID 109024080) is N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide is CCN(C(=O)CCNCc1ccncc1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
The InChIKey is MSSOHYQTXPCAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-21(17-6-4-5-15(2)13-17)18(22)9-12-20-14-16-7-10-19-11-8-16/h4-8,10-11,13,20H,3,9,12,14H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide?
N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide has a molecular weight of 297.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide is sourced from PubChem (CID 109024080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).