N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide

C16H20N2O2 — CID 43459468

IUPACN-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)o1
InChIInChI=1S/C16H20N2O2/c1-3-10-18(11-13-5-7-14(17)8-6-13)16(19)15-9-4-12(2)20-15/h4-9H,3,10-11,17H2,1-2H3
InChIKeyKCMJWAQNCXDJES-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.22
Rot. Bonds5

About N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide

N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide (PubChem CID 43459468) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
PubChem CID43459468
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide
SMILESCCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)o1
InChIInChI=1S/C16H20N2O2/c1-3-10-18(11-13-5-7-14(17)8-6-13)16(19)15-9-4-12(2)20-15/h4-9H,3,10-11,17H2,1-2H3
InChIKeyKCMJWAQNCXDJES-UHFFFAOYSA-N
XLogP3.22
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
5-amino-N,N-dipropylfuran-2-carboxamide
CID 82344196
5-methyl-N,N-dipentylfuran-2-carboxamide
CID 3319656
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
N-[(4-aminophenyl)methyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 43459474
N-(3-aminopropyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 43136432
N-(2-chloroethyl)-N-ethyl-5-methylfuran-2-carboxamide
CID 63395497
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685
5-methyl-N,N-bis(3-methylbutyl)furan-2-carboxamide
CID 112771490
N-[(2-aminophenyl)methyl]-5-chloro-N-propylfuran-2-carboxamide
CID 106683116
4-amino-N-[(4-methylphenyl)methyl]-N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 62687071
N-[(4-aminophenyl)methyl]-1-methyl-N-propylcyclohexane-1-carboxamide
CID 106826043

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide (CID 43459468) is N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide is CCCN(Cc1ccc(N)cc1)C(=O)c1ccc(C)o1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide?
The InChIKey is KCMJWAQNCXDJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-18(11-13-5-7-14(17)8-6-13)16(19)15-9-4-12(2)20-15/h4-9H,3,10-11,17H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide?
N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-5-methyl-N-propylfuran-2-carboxamide is sourced from PubChem (CID 43459468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).