N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide

C15H17N3O4 — CID 23767729

IUPACN-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide
SMILESCC(c1ccc(C(=O)NCc2ccccc2)o1)N(O)C(N)=O
InChIInChI=1S/C15H17N3O4/c1-10(18(21)15(16)20)12-7-8-13(22-12)14(19)17-9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H2,16,20)(H,17,19)
InChIKeyDBLVGVOJKKKZSU-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.04
Rot. Bonds5

About N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide

N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide (PubChem CID 23767729) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide
PubChem CID23767729
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC NameN-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide
SMILESCC(c1ccc(C(=O)NCc2ccccc2)o1)N(O)C(N)=O
InChIInChI=1S/C15H17N3O4/c1-10(18(21)15(16)20)12-7-8-13(22-12)14(19)17-9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H2,16,20)(H,17,19)
InChIKeyDBLVGVOJKKKZSU-UHFFFAOYSA-N
XLogP2.04
TPSA108.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
CID 82110940
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
(2S,3R)-N-benzyl-3-hydrazinyl-2-hydroxybutanamide
CID 71428235
N-benzyl-5-(2-cyanophenyl)furan-2-carboxamide
CID 54768736
benzene;benzylurea;hydrazine
CID 68793593
5-(1-chloroethyl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 82109061
5-[1-[bis(2-amino-2-oxoethyl)amino]ethyl]furan-2-carboxylic acid
CID 79090734
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-benzyl-2-methylpropanamide;methane
CID 160760567
3-benzyl-1-hydroxy-1-methylurea
CID 22900753
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide (CID 23767729) is N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide is CC(c1ccc(C(=O)NCc2ccccc2)o1)N(O)C(N)=O.
What is the InChIKey of N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide?
The InChIKey is DBLVGVOJKKKZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10(18(21)15(16)20)12-7-8-13(22-12)14(19)17-9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H2,16,20)(H,17,19).
What are the key properties of N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide?
N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[1-[carbamoyl(hydroxy)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 23767729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).