N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide

C18H24N2O3 — CID 78840867

IUPACN-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCN(CCCNC(=O)c1ccc(COC)o1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-3-20(15-8-5-4-6-9-15)13-7-12-19-18(21)17-11-10-16(23-17)14-22-2/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,19,21)
InChIKeyQAYKAZFSOKXDQR-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.07
Rot. Bonds9

About N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide

N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 78840867) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID78840867
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCN(CCCNC(=O)c1ccc(COC)o1)c1ccccc1
InChIInChI=1S/C18H24N2O3/c1-3-20(15-8-5-4-6-9-15)13-7-12-19-18(21)17-11-10-16(23-17)14-22-2/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,19,21)
InChIKeyQAYKAZFSOKXDQR-UHFFFAOYSA-N
XLogP3.07
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 30838668
N-[2-(ethylamino)ethyl]-5-(methoxymethyl)furan-2-carboxamide;hydrochloride
CID 119505332
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732
N-[2-(2-methoxyethoxy)ethyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78874120
5-(methoxymethyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119500596
5-(methoxymethyl)-N-(7-methyloctyl)furan-2-carboxamide
CID 78847305
5-(methoxymethyl)-N-(3-propan-2-yloxypropyl)furan-2-carboxamide
CID 78827233
3-(N-ethylanilino)propylurea
CID 112708177
N-[2-[[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111390013
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide (CID 78840867) is N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide is CCN(CCCNC(=O)c1ccc(COC)o1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is QAYKAZFSOKXDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-20(15-8-5-4-6-9-15)13-7-12-19-18(21)17-11-10-16(23-17)14-22-2/h4-6,8-11H,3,7,12-14H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 78840867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).