N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide

C15H15N3O4 — CID 2440550

IUPACN-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C15H15N3O4/c16-14(20)10-3-5-11(6-4-10)18-13(19)7-8-17-15(21)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyBFWGGAQZBFQKQS-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.14
Rot. Bonds6

About N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide

N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide (PubChem CID 2440550) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
PubChem CID2440550
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
InChIInChI=1S/C15H15N3O4/c16-14(20)10-3-5-11(6-4-10)18-13(19)7-8-17-15(21)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,16,20)(H,17,21)(H,18,19)
InChIKeyBFWGGAQZBFQKQS-UHFFFAOYSA-N
XLogP1.14
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-ethylsulfonylanilino)-3-oxopropyl]furan-2-carboxamide
CID 46693911
N-[3-[3-(methylcarbamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 17406094
N-(3-amino-3-sulfanylidenepropyl)furan-2-carboxamide
CID 62665546
N-[3-oxo-3-[3-(tetrazol-1-yl)anilino]propyl]furan-2-carboxamide
CID 29452089
tert-butyl N-[3-[4-(furan-2-carbonylamino)anilino]-3-oxopropyl]carbamate
CID 42014589
N-[3-oxo-3-[4-(2-oxopyrrolidin-1-yl)anilino]propyl]furan-2-carboxamide
CID 27838033
N-[2-[[4-[[2-(4-phenylphenyl)acetyl]amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062816
N-[3-[3-(2-aminoethylsulfamoyl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 119465293
N-[4-[[4-(4-carbamoylphenoxy)benzoyl]amino]phenyl]furan-2-carboxamide
CID 56545953
3-(furan-2-carbonylamino)propanoic acid
CID 762504
N-[3-[4-(1H-benzimidazol-2-yl)anilino]-3-oxopropyl]furan-2-carboxamide
CID 25373410
N-[3-(3,4-dipropoxyanilino)-3-oxopropyl]furan-2-carboxamide
CID 26878579

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide (CID 2440550) is N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide is NC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1.
What is the InChIKey of N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide?
The InChIKey is BFWGGAQZBFQKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c16-14(20)10-3-5-11(6-4-10)18-13(19)7-8-17-15(21)12-2-1-9-22-12/h1-6,9H,7-8H2,(H2,16,20)(H,17,21)(H,18,19).
What are the key properties of N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide?
N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-carbamoylanilino)-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 2440550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).