N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide

C21H21N3O3 — CID 9103530

IUPACN-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c1-15-6-4-7-16(12-15)24-20(25)14-22-19-10-3-2-9-18(19)21(26)23-13-17-8-5-11-27-17/h2-12,22H,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyQEMZOMOERVYRSD-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.57
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide

N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 9103530) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
PubChem CID9103530
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H21N3O3/c1-15-6-4-7-16(12-15)24-20(25)14-22-19-10-3-2-9-18(19)21(26)23-13-17-8-5-11-27-17/h2-12,22H,13-14H2,1H3,(H,23,26)(H,24,25)
InChIKeyQEMZOMOERVYRSD-UHFFFAOYSA-N
XLogP3.57
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
2-[[2-(5-fluoro-2-methylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17404436
N-(furan-2-ylmethyl)-3-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817531
N-(furan-2-ylmethyl)-3-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 54809082
3-[[2-(2-fluoroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54818535
N-(furan-2-ylmethyl)-2-[[2-(3-methylphenoxy)acetyl]amino]benzamide
CID 4938454
N-(furan-2-ylmethyl)-2-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]benzamide
CID 4798851
N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 51180458
N-(furan-2-ylmethyl)-2-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzamide
CID 34651174
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide (CID 9103530) is N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide is Cc1cccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is QEMZOMOERVYRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-6-4-7-16(12-15)24-20(25)14-22-19-10-3-2-9-18(19)21(26)23-13-17-8-5-11-27-17/h2-12,22H,13-14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide?
N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(3-methylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 9103530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).