N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide

C18H22N2O4 — CID 51092120

IUPACN-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C18H22N2O4/c1-13-9-14(2)11-16(10-13)24-8-6-19-17(21)3-5-20-18(22)15-4-7-23-12-15/h4,7,9-12H,3,5-6,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLLTIDECHMYODNZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.21
Rot. Bonds8

About N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide

N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide (PubChem CID 51092120) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
PubChem CID51092120
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide
SMILESCc1cc(C)cc(OCCNC(=O)CCNC(=O)c2ccoc2)c1
InChIInChI=1S/C18H22N2O4/c1-13-9-14(2)11-16(10-13)24-8-6-19-17(21)3-5-20-18(22)15-4-7-23-12-15/h4,7,9-12H,3,5-6,8H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyLLTIDECHMYODNZ-UHFFFAOYSA-N
XLogP2.21
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.21
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-[2-(4-tert-butylphenoxy)ethyl]furan-3-carboxamide
CID 24532323
N-[3-(3-hydroxypropylamino)-3-oxopropyl]furan-3-carboxamide
CID 43427988
N-[2-(3,5-dimethylphenoxy)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 51125128
cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94620545
N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]furan-3-carboxamide
CID 38741621
4-amino-N-[2-(3,5-dimethylphenoxy)ethyl]pentanamide;hydrochloride
CID 120561157
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 87016342
N-[2-[2-[(3-fluoro-4-methylbenzoyl)amino]ethylcarbamoylamino]ethyl]furan-3-carboxamide
CID 47071758
4-chloro-N-[3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 9470850
N-[2-(3,5-dimethylphenoxy)ethyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 94617104

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide?
The IUPAC name of N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide (CID 51092120) is N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide?
The canonical SMILES for N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide is Cc1cc(C)cc(OCCNC(=O)CCNC(=O)c2ccoc2)c1.
What is the InChIKey of N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide?
The InChIKey is LLTIDECHMYODNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-13-9-14(2)11-16(10-13)24-8-6-19-17(21)3-5-20-18(22)15-4-7-23-12-15/h4,7,9-12H,3,5-6,8H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide?
N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]furan-3-carboxamide is sourced from PubChem (CID 51092120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).