4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide

C17H21N3O3 — CID 47010072

IUPAC4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12(4-9-15-3-2-10-23-15)20-16(21)14-7-5-13(6-8-14)11-19-17(18)22/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,20,21)(H3,18,19,22)
InChIKeyHFLYCIZPSOPIBI-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.20
Rot. Bonds7

About 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide

4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide (PubChem CID 47010072) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
PubChem CID47010072
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide
SMILESCC(CCc1ccco1)NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12(4-9-15-3-2-10-23-15)20-16(21)14-7-5-13(6-8-14)11-19-17(18)22/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,20,21)(H3,18,19,22)
InChIKeyHFLYCIZPSOPIBI-UHFFFAOYSA-N
XLogP2.20
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 102851452
N-[4-(furan-2-yl)butan-2-yl]-4-(methylsulfamoyl)benzamide
CID 18162608
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
4-[(carbamoylamino)methyl]-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 79027939
6-amino-N-[4-(furan-2-yl)butan-2-yl]pyridazine-3-carboxamide
CID 62185826
N-[4-(furan-2-yl)butan-2-yl]-3,4-dihydroxybenzamide
CID 103956281
N-[4-(furan-2-yl)butan-2-yl]-3,5-dihydroxybenzamide
CID 104938782
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 18162420
4-[2-(ethylamino)-2-oxoethoxy]-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 42944232
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]benzamide
CID 39948589
N-[[4-(butan-2-ylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 47043267

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide (CID 47010072) is 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide is CC(CCc1ccco1)NC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide?
The InChIKey is HFLYCIZPSOPIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(4-9-15-3-2-10-23-15)20-16(21)14-7-5-13(6-8-14)11-19-17(18)22/h2-3,5-8,10,12H,4,9,11H2,1H3,(H,20,21)(H3,18,19,22).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide?
4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[4-(furan-2-yl)butan-2-yl]benzamide is sourced from PubChem (CID 47010072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).