N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide

C16H17N3O4 — CID 17406094

IUPACN-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-17-15(21)11-4-2-5-12(10-11)19-14(20)7-8-18-16(22)13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyANUWSIOSJSNMFI-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.40
Rot. Bonds6

About N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide

N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 17406094) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
PubChem CID17406094
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1
InChIInChI=1S/C16H17N3O4/c1-17-15(21)11-4-2-5-12(10-11)19-14(20)7-8-18-16(22)13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyANUWSIOSJSNMFI-UHFFFAOYSA-N
XLogP1.40
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
CID 2440550
3-[3-(2,2-dimethylpropanoylamino)propanoylamino]-N-methylbenzamide
CID 33171708
3-(3-aminopropanoylamino)-N-methylbenzamide
CID 61258621
N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
CID 29452089
N-methyl-3-[4-(methylamino)butanoylamino]benzamide
CID 61259505
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 8576003
N-[3-[3-(1,3-dithian-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 27842854
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
3-[[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]amino]-N-methylbenzamide
CID 8549513
N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 26878579
N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide (CID 17406094) is N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide is CNC(=O)c1cccc(NC(=O)CCNC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is ANUWSIOSJSNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-17-15(21)11-4-2-5-12(10-11)19-14(20)7-8-18-16(22)13-6-3-9-23-13/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 17406094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).