3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide

C15H17N3O3 — CID 86927115

IUPAC3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
SMILESCC(c1ccco1)N(C)C(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C15H17N3O3/c1-10(13-7-4-8-21-13)18(2)14(19)11-5-3-6-12(9-11)17-15(16)20/h3-10H,1-2H3,(H3,16,17,20)
InChIKeySVOUSGDKTMFHQG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.60
Rot. Bonds4

About 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide

3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide (PubChem CID 86927115) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
PubChem CID86927115
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
SMILESCC(c1ccco1)N(C)C(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C15H17N3O3/c1-10(13-7-4-8-21-13)18(2)14(19)11-5-3-6-12(9-11)17-15(16)20/h3-10H,1-2H3,(H3,16,17,20)
InChIKeySVOUSGDKTMFHQG-UHFFFAOYSA-N
XLogP2.60
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[1-(furan-2-yl)ethyl-methylcarbamoyl]amino]phenyl]-N-methylacetamide
CID 71984777
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 50981914
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
3-(carbamoylamino)-N-[4-(dimethylamino)phenyl]benzamide
CID 78776448
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 3-(carbamoylamino)benzoate
CID 8603057
N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 43043446
methyl 3-(carbamoylamino)benzoate
CID 2822841
N-[1-(2,6-difluorophenyl)ethyl]-N-methyl-3-(prop-2-enoylamino)benzamide
CID 166412002
3-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 29214137
N-(3-aminobutyl)-3-(carbamoylamino)benzamide
CID 119496000
[3-(methylamino)phenyl]urea
CID 23558981

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide (CID 86927115) is 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide is CC(c1ccco1)N(C)C(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
The InChIKey is SVOUSGDKTMFHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10(13-7-4-8-21-13)18(2)14(19)11-5-3-6-12(9-11)17-15(16)20/h3-10H,1-2H3,(H3,16,17,20).
What are the key properties of 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 86927115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).