2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide

C21H21N3O4 — CID 60542397

IUPAC2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CNC(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H21N3O4/c1-15-8-10-16(11-9-15)28-19-7-3-2-6-18(19)24-20(25)14-23-21(26)22-13-17-5-4-12-27-17/h2-12H,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyIPJGDSSNYQRMGD-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.82
Rot. Bonds7

About 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide

2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide (PubChem CID 60542397) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
PubChem CID60542397
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CNC(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H21N3O4/c1-15-8-10-16(11-9-15)28-19-7-3-2-6-18(19)24-20(25)14-23-21(26)22-13-17-5-4-12-27-17/h2-12H,13-14H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyIPJGDSSNYQRMGD-UHFFFAOYSA-N
XLogP3.82
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-1-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 55590977
N-[4-[2-(4-methylphenoxy)anilino]-4-oxobutyl]furan-2-carboxamide
CID 24681410
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
2-fluoro-N-[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl]benzamide
CID 17421842
N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 60544041
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902
3-acetamido-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 38505087
N-(furan-2-ylmethyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108945134
1-(2-hydroxyethyl)-3-[2-(4-methylphenoxy)phenyl]urea
CID 110894141
1-[2-(difluoromethoxy)phenyl]-3-(furan-2-ylmethyl)urea
CID 47129823
2-(furan-2-ylmethylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54818572
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide (CID 60542397) is 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide is Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide?
The InChIKey is IPJGDSSNYQRMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-15-8-10-16(11-9-15)28-19-7-3-2-6-18(19)24-20(25)14-23-21(26)22-13-17-5-4-12-27-17/h2-12H,13-14H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide?
2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)-N-[2-(4-methylphenoxy)phenyl]acetamide is sourced from PubChem (CID 60542397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).