N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide

C18H18N2O3 — CID 150109605

IUPACN-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide
SMILESCC(CC(N)=O)C(=O)N(O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18N2O3/c1-11(10-16(19)21)18(22)20(23)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-9,11,17,23H,10H2,1H3,(H2,19,21)
InChIKeyDWYWVTOFXHXNDO-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.49
Rot. Bonds4

About N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide

N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide (PubChem CID 150109605) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide.

Molecular Properties

Compound NameN-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide
PubChem CID150109605
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide
SMILESCC(CC(N)=O)C(=O)N(O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H18N2O3/c1-11(10-16(19)21)18(22)20(23)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-9,11,17,23H,10H2,1H3,(H2,19,21)
InChIKeyDWYWVTOFXHXNDO-UHFFFAOYSA-N
XLogP2.49
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[9H-fluoren-9-yl(methyl)amino]acetamide
CID 166193122
(2R)-2-amino-N-(9H-fluoren-9-yl)-N-methylpropanamide
CID 99703634
2-amino-N-(9H-fluoren-9-yl)-N-methylpropanamide
CID 86814746
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
(3R)-3-[9H-fluoren-9-yl(methoxycarbonyl)amino]butanoic acid
CID 70076002
(2S)-4-(15N)azanyl-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-4-oxobutanoic acid
CID 71308913
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
(2S)-N,N,2-trimethylbutanediamide
CID 89208905
(2S,3S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-5-oxopentanoic acid
CID 102324396
4-methyl-3-phenylpentanamide
CID 66616845
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
(2S)-2-[[(2S)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid
CID 15138220

Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide?
The IUPAC name of N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide (CID 150109605) is N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide.
What is the SMILES notation for N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide?
The canonical SMILES for N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide is CC(CC(N)=O)C(=O)N(O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide?
The InChIKey is DWYWVTOFXHXNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11(10-16(19)21)18(22)20(23)17-14-8-4-2-6-12(14)13-7-3-5-9-15(13)17/h2-9,11,17,23H,10H2,1H3,(H2,19,21).
What are the key properties of N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide?
N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide has a molecular weight of 310.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-9-yl)-N-hydroxy-2-methylbutanediamide is sourced from PubChem (CID 150109605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).