N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide

C18H24N2O3 — CID 18368378

IUPACN-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)cc(C)c1OCCNC(C)C
InChIInChI=1S/C18H24N2O3/c1-12(2)19-6-8-23-17-13(3)9-16(10-14(17)4)20-18(21)15-5-7-22-11-15/h5,7,9-12,19H,6,8H2,1-4H3,(H,20,21)
InChIKeyWLWAXIJOWIXAMU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.53
Rot. Bonds7

About N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide

N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide (PubChem CID 18368378) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide
PubChem CID18368378
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)cc(C)c1OCCNC(C)C
InChIInChI=1S/C18H24N2O3/c1-12(2)19-6-8-23-17-13(3)9-16(10-14(17)4)20-18(21)15-5-7-22-11-15/h5,7,9-12,19H,6,8H2,1-4H3,(H,20,21)
InChIKeyWLWAXIJOWIXAMU-UHFFFAOYSA-N
XLogP3.53
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-3-(2-methylpropanoylamino)phenyl]furan-3-carboxamide
CID 131948367
N-[4-[2-(2-methoxyethylamino)ethoxy]phenyl]furan-3-carboxamide;hydrochloride
CID 18368297
N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-(4-ethoxy-3,5-dimethylphenyl)benzamide
CID 13343221
N-[3-[1-(ethylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507852
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 55202900
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
3-methoxy-N-[3-methyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]propanamide;hydrochloride
CID 18368300
N-[3-(4-hydroxybut-1-ynyl)-4-methylphenyl]furan-3-carboxamide
CID 63334275
N-(3-bromobutyl)furan-3-carboxamide
CID 114312390
N-[4-(methylaminomethyl)phenyl]furan-3-carboxamide
CID 106909959
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]furan-3-carboxamide
CID 166215679

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide (CID 18368378) is N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide is Cc1cc(NC(=O)c2ccoc2)cc(C)c1OCCNC(C)C.
What is the InChIKey of N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide?
The InChIKey is WLWAXIJOWIXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(2)19-6-8-23-17-13(3)9-16(10-14(17)4)20-18(21)15-5-7-22-11-15/h5,7,9-12,19H,6,8H2,1-4H3,(H,20,21).
What are the key properties of N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide?
N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-4-[2-(propan-2-ylamino)ethoxy]phenyl]furan-3-carboxamide is sourced from PubChem (CID 18368378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).