N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide

C14H16N2O2 — CID 43549249

IUPACN-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)c1ccoc1
InChIInChI=1S/C14H16N2O2/c1-10(11-4-3-5-13(15)8-11)16(2)14(17)12-6-7-18-9-12/h3-10H,15H2,1-2H3
InChIKeyQOAKXHILMDZIPB-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.69
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide

N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide (PubChem CID 43549249) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
PubChem CID43549249
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)c1ccoc1
InChIInChI=1S/C14H16N2O2/c1-10(11-4-3-5-13(15)8-11)16(2)14(17)12-6-7-18-9-12/h3-10H,15H2,1-2H3
InChIKeyQOAKXHILMDZIPB-UHFFFAOYSA-N
XLogP2.69
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
CID 43549195
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
N-[1-(3-aminophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63024056
N-[1-(3-aminophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 61278164
N-[1-(3-aminophenyl)ethyl]-2-ethoxy-N-methylacetamide
CID 43549185
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
N-[1-(3-aminophenyl)ethyl]-4-methoxy-N-methylbutanamide
CID 78984491
3-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzamide
CID 60939433
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide (CID 43549249) is N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide is CC(c1cccc(N)c1)N(C)C(=O)c1ccoc1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide?
The InChIKey is QOAKXHILMDZIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10(11-4-3-5-13(15)8-11)16(2)14(17)12-6-7-18-9-12/h3-10H,15H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide?
N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide is sourced from PubChem (CID 43549249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).