N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide

C18H22N2O3 — CID 6490891

IUPACN-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)14-8-6-13(7-9-14)16(21)19-10-11-20-17(22)15-5-4-12-23-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUZRCQEQGIUBUTL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.74
Rot. Bonds5

About N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 6490891) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide
PubChem CID6490891
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)14-8-6-13(7-9-14)16(21)19-10-11-20-17(22)15-5-4-12-23-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyUZRCQEQGIUBUTL-UHFFFAOYSA-N
XLogP2.74
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.74
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

A 317920
CID 10389213
4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
N-(2-Furylmethyl)benzamide
CID 236716
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)furan-2-carboxamide
CID 723466
N-(2-Furylmethyl)-3-phenylacrylamide
CID 732131
5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
4-tert-butyl-N-(2-phenoxyethyl)benzamide
CID 2244662
5-(2-methylpropyl)-N-(2-phenoxyethyl)furan-2-carboxamide
CID 5295624

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide (CID 6490891) is N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide is CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is UZRCQEQGIUBUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)14-8-6-13(7-9-14)16(21)19-10-11-20-17(22)15-5-4-12-23-15/h4-9,12H,10-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 6490891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).