N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide

C19H24N2O4 — CID 646588

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1
InChIInChI=1S/C19H24N2O4/c1-5-24-15-10-8-14(9-11-15)21(13-17(22)20-19(2,3)4)18(23)16-7-6-12-25-16/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyURIMBPRWYMRQMN-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.24
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (PubChem CID 646588) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
PubChem CID646588
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
SMILESCCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1
InChIInChI=1S/C19H24N2O4/c1-5-24-15-10-8-14(9-11-15)21(13-17(22)20-19(2,3)4)18(23)16-7-6-12-25-16/h6-12H,5,13H2,1-4H3,(H,20,22)
InChIKeyURIMBPRWYMRQMN-UHFFFAOYSA-N
XLogP3.24
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)furan-2-carboxamide
CID 785196
N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
N-(2-methoxy-5-nitrophenyl)furan-2-carboxamide
CID 710698
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
Arylaminoethyl amide deriv. 17
CID 11419952
8-(furan-2-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376215
1-[1-(3-Methylfuran-2-carbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 118409145
1-(2-Furoyl)-4-(2-methoxyphenyl)piperazine
CID 595810
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
N-{2-[4-(phenylcarbonyl)piperazin-1-yl]phenyl}furan-2-carboxamide
CID 1087124

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide (CID 646588) is N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is CCOc1ccc(N(CC(=O)NC(C)(C)C)C(=O)c2ccco2)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
The InChIKey is URIMBPRWYMRQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-24-15-10-8-14(9-11-15)21(13-17(22)20-19(2,3)4)18(23)16-7-6-12-25-16/h6-12H,5,13H2,1-4H3,(H,20,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 646588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).