N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide

C17H22N2O3 — CID 30838668

IUPACN-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(COC)o2)cc1
InChIInChI=1S/C17H22N2O3/c1-4-19(5-2)14-8-6-13(7-9-14)18-17(20)16-11-10-15(22-16)12-21-3/h6-11H,4-5,12H2,1-3H3,(H,18,20)
InChIKeyUAMYLEVFAKAAAP-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.52
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide

N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 30838668) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID30838668
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccc(COC)o2)cc1
InChIInChI=1S/C17H22N2O3/c1-4-19(5-2)14-8-6-13(7-9-14)18-17(20)16-11-10-15(22-16)12-21-3/h6-11H,4-5,12H2,1-3H3,(H,18,20)
InChIKeyUAMYLEVFAKAAAP-UHFFFAOYSA-N
XLogP3.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19465788
N-[4-(diethylamino)phenyl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 2165261
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
5-bromo-N-[4-(diethylamino)phenyl]furan-2-carboxamide
CID 738269
N-[4-(diethylamino)phenyl]-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455393
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
N-[4-(diethylamino)phenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4281117
N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840867
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78888813
methyl N-[4-[[[5-(methoxymethyl)furan-2-carbonyl]amino]methyl]phenyl]carbamate
CID 78902905
N-(4-chloro-3-fluorophenyl)-5-(methoxymethyl)furan-2-carboxamide
CID 78882500
5-(methoxymethyl)-N-(2-methyl-1H-indol-5-yl)furan-2-carboxamide
CID 86930455

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide (CID 30838668) is N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2ccc(COC)o2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is UAMYLEVFAKAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-19(5-2)14-8-6-13(7-9-14)18-17(20)16-11-10-15(22-16)12-21-3/h6-11H,4-5,12H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide?
N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 30838668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).