4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide

C22H21N3O5 — CID 56548373

IUPAC4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
SMILESCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C22H21N3O5/c1-14(21(27)24-13-19-3-2-12-29-19)25-22(28)16-6-10-18(11-7-16)30-17-8-4-15(5-9-17)20(23)26/h2-12,14H,13H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyAJRVTDWDBKAHHI-UHFFFAOYSA-N
MW407.43 g/mol
LogP2.61
Rot. Bonds8

About 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide

4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide (PubChem CID 56548373) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide.

Molecular Properties

Compound Name4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
PubChem CID56548373
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
SMILESCC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C22H21N3O5/c1-14(21(27)24-13-19-3-2-12-29-19)25-22(28)16-6-10-18(11-7-16)30-17-8-4-15(5-9-17)20(23)26/h2-12,14H,13H2,1H3,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyAJRVTDWDBKAHHI-UHFFFAOYSA-N
XLogP2.61
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide with MolForge

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Related Compounds

N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
4-N-(furan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 27649984
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxybenzoyl)amino]-3-methylbutanoate
CID 7568584
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 110348322
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 41143393

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide?
The IUPAC name of 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide (CID 56548373) is 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide.
What is the SMILES notation for 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide?
The canonical SMILES for 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide is CC(NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)C(=O)NCc1ccco1.
What is the InChIKey of 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide?
The InChIKey is AJRVTDWDBKAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-14(21(27)24-13-19-3-2-12-29-19)25-22(28)16-6-10-18(11-7-16)30-17-8-4-15(5-9-17)20(23)26/h2-12,14H,13H2,1H3,(H2,23,26)(H,24,27)(H,25,28).
What are the key properties of 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide?
4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide has a molecular weight of 407.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide is sourced from PubChem (CID 56548373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).