N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

C15H23N3O5 — CID 59888484

IUPACN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H23N3O5/c1-9(2)7-12(15(21)18-22)14(20)17-10(3)13(19)16-8-11-5-4-6-23-11/h4-6,9-10,12,22H,7-8H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyUIAMOHRZCRSTBK-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.57
Rot. Bonds8

About N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide

N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (PubChem CID 59888484) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
PubChem CID59888484
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC NameN-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide
SMILESCC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCc1ccco1
InChIInChI=1S/C15H23N3O5/c1-9(2)7-12(15(21)18-22)14(20)17-10(3)13(19)16-8-11-5-4-6-23-11/h4-6,9-10,12,22H,7-8H2,1-3H3,(H,16,19)(H,17,20)(H,18,21)
InChIKeyUIAMOHRZCRSTBK-UHFFFAOYSA-N
XLogP0.57
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351273
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 74586245
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
2-(cyclopropylamino)-N-(furan-2-ylmethyl)propanamide
CID 43084580
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The IUPAC name of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide (CID 59888484) is N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide.
What is the SMILES notation for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The canonical SMILES for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is CC(C)CC(C(=O)NO)C(=O)NC(C)C(=O)NCc1ccco1.
What is the InChIKey of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
The InChIKey is UIAMOHRZCRSTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-9(2)7-12(15(21)18-22)14(20)17-10(3)13(19)16-8-11-5-4-6-23-11/h4-6,9-10,12,22H,7-8H2,1-3H3,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide?
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide has a molecular weight of 325.37 g/mol, XLogP of 0.57, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)propanediamide is sourced from PubChem (CID 59888484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).