N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide

C17H20N2O3 — CID 38205917

IUPACN-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCCNC(=O)c2ccccc2)c1C
InChIInChI=1S/C17H20N2O3/c1-11-12(2)22-13(3)15(11)17(21)19-10-9-18-16(20)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOWRPKAXSYCANRC-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.36
Rot. Bonds5

About N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide

N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 38205917) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID38205917
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCCNC(=O)c2ccccc2)c1C
InChIInChI=1S/C17H20N2O3/c1-11-12(2)22-13(3)15(11)17(21)19-10-9-18-16(20)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyOWRPKAXSYCANRC-UHFFFAOYSA-N
XLogP2.36
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-(2-benzamidoethyl)-4-ethylbenzamide
CID 84532761
N-(2-aminoethyl)benzamide;ethane
CID 143976252
N-[[4-(hydroxymethyl)phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 107231330
2,4,5-trimethyl-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-3-carboxamide
CID 46456653
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-[2-(hydroxymethylamino)ethyl]benzamide
CID 89240823
N-[2-[(4-methoxybenzoyl)amino]ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 60532703
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
N-(1,3-benzothiazol-2-ylmethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 38284719
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide (CID 38205917) is N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide is Cc1oc(C)c(C(=O)NCCNC(=O)c2ccccc2)c1C.
What is the InChIKey of N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is OWRPKAXSYCANRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11-12(2)22-13(3)15(11)17(21)19-10-9-18-16(20)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 38205917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).