N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide

C22H25N3O3 — CID 47033511

IUPACN-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)12-21(26)24-17-8-10-18(11-9-17)25-22(27)23-15(3)20-13-16-6-4-5-7-19(16)28-20/h4-11,13-15H,12H2,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyYKVYOLOBTRVTAJ-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.30
Rot. Bonds6

About N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide

N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide (PubChem CID 47033511) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
PubChem CID47033511
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(NC(=O)NC(C)c2cc3ccccc3o2)cc1
InChIInChI=1S/C22H25N3O3/c1-14(2)12-21(26)24-17-8-10-18(11-9-17)25-22(27)23-15(3)20-13-16-6-4-5-7-19(16)28-20/h4-11,13-15H,12H2,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyYKVYOLOBTRVTAJ-UHFFFAOYSA-N
XLogP5.30
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
2-[[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8786147
1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
CID 134056773
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9368153
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(4-chlorophenyl)acetamide
CID 112801490
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893273
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea
CID 52539457

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide (CID 47033511) is N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(NC(=O)NC(C)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide?
The InChIKey is YKVYOLOBTRVTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(2)12-21(26)24-17-8-10-18(11-9-17)25-22(27)23-15(3)20-13-16-6-4-5-7-19(16)28-20/h4-11,13-15H,12H2,1-3H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide?
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide has a molecular weight of 379.46 g/mol, XLogP of 5.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide is sourced from PubChem (CID 47033511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).