N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

C17H20N2O4 — CID 108945134

IUPACN-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C17H20N2O4/c1-12(2)23-15-8-4-3-7-14(15)19-17(21)10-16(20)18-11-13-6-5-9-22-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNTIYDJJLSXAKGI-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.71
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108945134) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108945134
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)NCc1ccco1
InChIInChI=1S/C17H20N2O4/c1-12(2)23-15-8-4-3-7-14(15)19-17(21)10-16(20)18-11-13-6-5-9-22-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNTIYDJJLSXAKGI-UHFFFAOYSA-N
XLogP2.71
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-[(2-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 95239498
N-benzyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945297
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N-pentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108951934
6-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109155336
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109279576
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109231568
N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108945134) is N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)CC(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is NTIYDJJLSXAKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(2)23-15-8-4-3-7-14(15)19-17(21)10-16(20)18-11-13-6-5-9-22-13/h3-9,12H,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 316.36 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108945134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).