4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide

C22H25N3O3 — CID 60569859

IUPAC4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H25N3O3/c1-4-14(2)23-21(26)16-9-11-18(12-10-16)25-22(27)24-15(3)20-13-17-7-5-6-8-19(17)28-20/h5-15H,4H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyKLPKYFUMUPLNLS-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.84
Rot. Bonds6

About 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide

4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide (PubChem CID 60569859) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
PubChem CID60569859
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H25N3O3/c1-4-14(2)23-21(26)16-9-11-18(12-10-16)25-22(27)24-15(3)20-13-17-7-5-6-8-19(17)28-20/h5-15H,4H2,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyKLPKYFUMUPLNLS-UHFFFAOYSA-N
XLogP4.84
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
N-[(2R)-butan-2-yl]-4-(phenylcarbamoylamino)benzamide
CID 42427532
N-[4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9368629
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
CID 134056773
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-butan-2-yl-4-(5-methylhexan-2-ylcarbamoylamino)benzamide
CID 60569862
N-[1-(1-benzofuran-2-yl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 18086673
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide (CID 60569859) is 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(NC(=O)NC(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide?
The InChIKey is KLPKYFUMUPLNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-14(2)23-21(26)16-9-11-18(12-10-16)25-22(27)24-15(3)20-13-17-7-5-6-8-19(17)28-20/h5-15H,4H2,1-3H3,(H,23,26)(H2,24,25,27).
What are the key properties of 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide?
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide has a molecular weight of 379.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide is sourced from PubChem (CID 60569859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).