3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide

C28H39N3O5 — CID 23387737

IUPAC3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
SMILESCNC(=O)C(NC(=O)C(Cc1ccc2ccccc2c1)C(OC1CCCCC1)C(=O)NO)C(C)(C)C
InChIInChI=1S/C28H39N3O5/c1-28(2,3)24(27(34)29-4)30-25(32)22(17-18-14-15-19-10-8-9-11-20(19)16-18)23(26(33)31-35)36-21-12-6-5-7-13-21/h8-11,14-16,21-24,35H,5-7,12-13,17H2,1-4H3,(H,29,34)(H,30,32)(H,31,33)
InChIKeyAXAHURFPZZMTNT-UHFFFAOYSA-N
MW497.64 g/mol
LogP3.50
Rot. Bonds9

About 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide

3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide (PubChem CID 23387737) has the molecular formula C28H39N3O5 and a molecular weight of 497.64 g/mol. Its IUPAC name is 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide.

Molecular Properties

Compound Name3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
PubChem CID23387737
Molecular FormulaC28H39N3O5
Molecular Weight497.64 g/mol
Exact Mass497.29
IUPAC Name3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
SMILESCNC(=O)C(NC(=O)C(Cc1ccc2ccccc2c1)C(OC1CCCCC1)C(=O)NO)C(C)(C)C
InChIInChI=1S/C28H39N3O5/c1-28(2,3)24(27(34)29-4)30-25(32)22(17-18-14-15-19-10-8-9-11-20(19)16-18)23(26(33)31-35)36-21-12-6-5-7-13-21/h8-11,14-16,21-24,35H,5-7,12-13,17H2,1-4H3,(H,29,34)(H,30,32)(H,31,33)
InChIKeyAXAHURFPZZMTNT-UHFFFAOYSA-N
XLogP3.50
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2R,3S)-3-[2-(dimethylamino)ethoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
CID 59913933
(2R,3S)-3-[3-(dimethylamino)propoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
CID 59913833
(2R,3S)-N-[(2S)-3,3-dimethyl-1-[(2-methylpropan-2-yl)oxyamino]-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide
CID 59913884
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-hydroxy-2-(naphthalen-2-ylmethyl)-N'-phenylmethoxybutanediamide
CID 59913882
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(naphthalen-2-ylmethylamino)butanediamide
CID 11798586
(2R,3S)-3-[2-(dimethylamino)ethoxy]-N-[(2S)-1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
CID 59913857
(2R,3S)-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3,3-dimethyl-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-propoxybutanediamide
CID 59913852
3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
CID 142075054
N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide
CID 74999760
(2R,3S)-N-[(2R)-1-amino-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)-3-prop-2-enoxybutanediamide
CID 59913836
(2S,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-3-[(1-methyl-2-oxoquinolin-6-yl)methoxy]-2-(4-phenylmethoxybutyl)butanediamide
CID 135731796
2-amino-N-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]-3-naphthalen-2-ylpropanamide
CID 167079365

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?
The IUPAC name of 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide (CID 23387737) is 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide.
What is the SMILES notation for 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?
The canonical SMILES for 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide is CNC(=O)C(NC(=O)C(Cc1ccc2ccccc2c1)C(OC1CCCCC1)C(=O)NO)C(C)(C)C.
What is the InChIKey of 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?
The InChIKey is AXAHURFPZZMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O5/c1-28(2,3)24(27(34)29-4)30-25(32)22(17-18-14-15-19-10-8-9-11-20(19)16-18)23(26(33)31-35)36-21-12-6-5-7-13-21/h8-11,14-16,21-24,35H,5-7,12-13,17H2,1-4H3,(H,29,34)(H,30,32)(H,31,33).
What are the key properties of 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?
3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide has a molecular weight of 497.64 g/mol, XLogP of 3.50, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxy-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide is sourced from PubChem (CID 23387737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).