N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

C22H24N2O4 — CID 51213609

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)24-20(25)13-23-21(26)19-11-10-18(28-19)14-27-17-9-8-15-6-4-5-7-16(15)12-17/h4-12H,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyZVXHEXIERVEYKW-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.66
Rot. Bonds6

About N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (PubChem CID 51213609) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
PubChem CID51213609
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
SMILESCC(C)(C)NC(=O)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1
InChIInChI=1S/C22H24N2O4/c1-22(2,3)24-20(25)13-23-21(26)19-11-10-18(28-19)14-27-17-9-8-15-6-4-5-7-16(15)12-17/h4-12H,13-14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyZVXHEXIERVEYKW-UHFFFAOYSA-N
XLogP3.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
5-(naphthalen-2-yloxymethyl)-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 19578864
N-[(2-methoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 31491727
N-[(3,4-dimethoxyphenyl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 35523266
N-(2-hydroxyphenyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19460984
5-(naphthalen-2-yloxymethyl)-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 19460989
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 120946987
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
2-[[5-(phenoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 82043257
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
5-(naphthalen-2-yloxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 55345719

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide (CID 51213609) is N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is CC(C)(C)NC(=O)CNC(=O)c1ccc(COc2ccc3ccccc3c2)o1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
The InChIKey is ZVXHEXIERVEYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-22(2,3)24-20(25)13-23-21(26)19-11-10-18(28-19)14-27-17-9-8-15-6-4-5-7-16(15)12-17/h4-12H,13-14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide is sourced from PubChem (CID 51213609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).