N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

C24H27N3O4 — CID 54843077

IUPACN-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C24H27N3O4/c1-17(2)16-31-21-6-3-5-20(13-21)27-23(28)15-25-19-10-8-18(9-11-19)24(29)26-14-22-7-4-12-30-22/h3-13,17,25H,14-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyRZHGQHAFUMMETJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.30
Rot. Bonds10

About N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide

N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54843077) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54843077
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C24H27N3O4/c1-17(2)16-31-21-6-3-5-20(13-21)27-23(28)15-25-19-10-8-18(9-11-19)24(29)26-14-22-7-4-12-30-22/h3-13,17,25H,14-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyRZHGQHAFUMMETJ-UHFFFAOYSA-N
XLogP4.30
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843109
2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54818949
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
N-(furan-2-ylmethyl)-4-[[2-(3-hexoxyanilino)acetyl]amino]benzamide
CID 54823454
N-butyl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54832134
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
N-(furan-2-ylmethyl)-3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54834809
4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
N-butan-2-yl-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54834525
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54843077) is N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is CC(C)COc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is RZHGQHAFUMMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17(2)16-31-21-6-3-5-20(13-21)27-23(28)15-25-19-10-8-18(9-11-19)24(29)26-14-22-7-4-12-30-22/h3-13,17,25H,14-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide?
N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 421.50 g/mol, XLogP of 4.30, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54843077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).