4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide

C19H30N2O4S — CID 134179062

IUPAC4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)N[C@@H](CCCSC)C(=O)NO)cc1
InChIInChI=1S/C19H30N2O4S/c1-3-4-5-6-13-25-16-11-9-15(10-12-16)18(22)20-17(19(23)21-24)8-7-14-26-2/h9-12,17,24H,3-8,13-14H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyRKQNOLDHUQKMQF-KRWDZBQOSA-N
MW382.53 g/mol
LogP3.39
Rot. Bonds13

About 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide

4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide (PubChem CID 134179062) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide
PubChem CID134179062
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide
SMILESCCCCCCOc1ccc(C(=O)N[C@@H](CCCSC)C(=O)NO)cc1
InChIInChI=1S/C19H30N2O4S/c1-3-4-5-6-13-25-16-11-9-15(10-12-16)18(22)20-17(19(23)21-24)8-7-14-26-2/h9-12,17,24H,3-8,13-14H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1
InChIKeyRKQNOLDHUQKMQF-KRWDZBQOSA-N
XLogP3.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 (2S)-2-[(4-hexoxybenzoyl)amino]pentanoate
CID 67361411
N-[(2S)-1-[2-(dimethylamino)ethylamino]-1-oxopentan-2-yl]-4-pentoxybenzamide
CID 11559884
(2S)-2-[(4-butoxybenzoyl)amino]pentanoic acid
CID 107564279
4-heptoxy-N-methylbenzamide
CID 3291691
ethyl (2S)-2-[(4-butoxybenzoyl)amino]-4-methylpentanoate
CID 54314301
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
4-hexoxy-N'-(2-methylpropanoyl)benzohydrazide
CID 24677420
N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-ethoxybenzamide
CID 89072084
4-pentoxybenzohydrazide
CID 2727702
methyl (2S)-2-[(4-hexoxybenzoyl)amino]-3-methylbutanoate
CID 134179064
2-[4-[[1,5-dioxo-1,5-di(tetradecoxy)pentan-2-yl]carbamoyl]phenoxy]ethyl-trimethylazanium
CID 10676911
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide (CID 134179062) is 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide is CCCCCCOc1ccc(C(=O)N[C@@H](CCCSC)C(=O)NO)cc1.
What is the InChIKey of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide?
The InChIKey is RKQNOLDHUQKMQF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-3-4-5-6-13-25-16-11-9-15(10-12-16)18(22)20-17(19(23)21-24)8-7-14-26-2/h9-12,17,24H,3-8,13-14H2,1-2H3,(H,20,22)(H,21,23)/t17-/m0/s1.
What are the key properties of 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide?
4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide has a molecular weight of 382.53 g/mol, XLogP of 3.39, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[(2S)-1-(hydroxyamino)-5-methylsulfanyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 134179062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).