N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide

C20H26N2O5 — CID 26878579

IUPACN-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCCCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1OCCC
InChIInChI=1S/C20H26N2O5/c1-3-11-25-16-8-7-15(14-18(16)26-12-4-2)22-19(23)9-10-21-20(24)17-6-5-13-27-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWLRSKTWBEKVYTB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds11

About N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 26878579) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID26878579
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC NameN-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
SMILESCCCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1OCCC
InChIInChI=1S/C20H26N2O5/c1-3-11-25-16-8-7-15(14-18(16)26-12-4-2)22-19(23)9-10-21-20(24)17-6-5-13-27-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyWLRSKTWBEKVYTB-UHFFFAOYSA-N
XLogP3.62
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dipropoxyphenyl)furan-2-carboxamide
CID 26212098
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-[2-(3,4-dipropoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 35617607
N'-(3-ethoxy-4-propoxybenzoyl)furan-2-carbohydrazide
CID 9476415
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-[3-(4-bromoanilino)-3-oxopropyl]-3-ethoxy-4-propoxybenzamide
CID 55952088
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
N-[3-[2-(4-ethoxy-3-methoxybenzoyl)hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 8901422
N-[(E)-(3-ethoxy-4-propoxyphenyl)methylideneamino]furan-2-carboxamide
CID 94833642
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
N-[3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propyl]furan-2-carboxamide
CID 115619809

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide (CID 26878579) is N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide is CCCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1OCCC.
What is the InChIKey of N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is WLRSKTWBEKVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-3-11-25-16-8-7-15(14-18(16)26-12-4-2)22-19(23)9-10-21-20(24)17-6-5-13-27-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 26878579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).