N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide

C17H22N2O2 — CID 109018740

IUPACN-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNCc1ccco1)c1cccc(C)c1
InChIInChI=1S/C17H22N2O2/c1-3-19(15-7-4-6-14(2)12-15)17(20)9-10-18-13-16-8-5-11-21-16/h4-8,11-12,18H,3,9-10,13H2,1-2H3
InChIKeyZPFATHMPDISCDR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.12
Rot. Bonds7

About N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide

N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide (PubChem CID 109018740) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
PubChem CID109018740
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCNCc1ccco1)c1cccc(C)c1
InChIInChI=1S/C17H22N2O2/c1-3-19(15-7-4-6-14(2)12-15)17(20)9-10-18-13-16-8-5-11-21-16/h4-8,11-12,18H,3,9-10,13H2,1-2H3
InChIKeyZPFATHMPDISCDR-UHFFFAOYSA-N
XLogP3.12
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.12
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)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024080
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
6-N-ethyl-2-N-(furan-2-ylmethyl)-6-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097206
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)propanamide
CID 109042848
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
3-(benzenesulfonamido)-N-ethyl-N-(3-methylphenyl)propanamide
CID 17226000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide?
The IUPAC name of N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide (CID 109018740) is N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide is CCN(C(=O)CCNCc1ccco1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide?
The InChIKey is ZPFATHMPDISCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19(15-7-4-6-14(2)12-15)17(20)9-10-18-13-16-8-5-11-21-16/h4-8,11-12,18H,3,9-10,13H2,1-2H3.
What are the key properties of N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide?
N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-ylmethylamino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109018740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).