N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide

C15H15N3O4 — CID 126003002

IUPACN-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C15H15N3O4/c1-2-13(19)17-18-14(20)10-6-3-4-7-11(10)16-15(21)12-8-5-9-22-12/h3-9H,2H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyHZIHPPKARPZYIV-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.70
Rot. Bonds4

About N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide

N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 126003002) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID126003002
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC NameN-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C15H15N3O4/c1-2-13(19)17-18-14(20)10-6-3-4-7-11(10)16-15(21)12-8-5-9-22-12/h3-9H,2H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyHZIHPPKARPZYIV-UHFFFAOYSA-N
XLogP1.70
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-4-methylbenzamide
CID 126007751
N-(2-ethylphenyl)furan-2-carboxamide
CID 763274
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
methyl 2-[[2-[2-(furan-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 2601270
(2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7035399
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2652525
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363

Frequently Asked Questions

What is the IUPAC name of N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide (CID 126003002) is N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide is CCC(=O)NNC(=O)c1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is HZIHPPKARPZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-13(19)17-18-14(20)10-6-3-4-7-11(10)16-15(21)12-8-5-9-22-12/h3-9H,2H2,1H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 301.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126003002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).