(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide

C17H35NO2 — CID 131850924

IUPAC(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide
SMILESCCCCCC[C@@H](O)[C@H](CCCC)C(=O)N(CC)CC
InChIInChI=1S/C17H35NO2/c1-5-9-11-12-14-16(19)15(13-10-6-2)17(20)18(7-3)8-4/h15-16,19H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyRORGSILUUUCKRY-JKSUJKDBSA-N
MW285.47 g/mol
LogP3.99
Rot. Bonds12

About (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide

(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide (PubChem CID 131850924) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide.

Molecular Properties

Compound Name(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide
PubChem CID131850924
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide
SMILESCCCCCC[C@@H](O)[C@H](CCCC)C(=O)N(CC)CC
InChIInChI=1S/C17H35NO2/c1-5-9-11-12-14-16(19)15(13-10-6-2)17(20)18(7-3)8-4/h15-16,19H,5-14H2,1-4H3/t15-,16+/m0/s1
InChIKeyRORGSILUUUCKRY-JKSUJKDBSA-N
XLogP3.99
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Hydroxy-2-methyldecanoyl)pyrrolidin-2-one
CID 10683430
N,N-Dibutyl-12-hydroxyoctadecan-1-amide
CID 85969
N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide
CID 86128162
(2S)-2-[[[(2R,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)nonanoyl]-methylamino]methyl]-4-methylpentanoic acid
CID 175339697
(3R,4S,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
CID 10934944
2-(1-hydroxy-2-methylpropyl)-6-iodo-N,N-dimethylhexanamide
CID 13717214
(3R,4S,7R,11S)-11-ethyl-4-hydroxy-3-[(1S)-1-hydroxyethyl]-7-methyl-azacyclotetradecan-2-one
CID 46217349
(3R,4R,7R,11S)-11-ethyl-4-hydroxy-3,7-dimethyl-azacyclotetradecan-2-one
CID 56945344
(3R,4S,7R,11S)-11-ethyl-4-hydroxy-3-[(1R)-1-hydroxyethyl]-7-methyl-azacyclotetradecan-2-one
CID 134846857
(2R,3S)-3-cyclohexyl-3-hydroxy-2-iodo-N,N-di(propan-2-yl)propanamide
CID 134934131
(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide
CID 134934560
(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide
CID 11011232

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide?
The IUPAC name of (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide (CID 131850924) is (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide.
What is the SMILES notation for (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide?
The canonical SMILES for (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide is CCCCCC[C@@H](O)[C@H](CCCC)C(=O)N(CC)CC.
What is the InChIKey of (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide?
The InChIKey is RORGSILUUUCKRY-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-9-11-12-14-16(19)15(13-10-6-2)17(20)18(7-3)8-4/h15-16,19H,5-14H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide?
(2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide has a molecular weight of 285.47 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-butyl-N,N-diethyl-3-hydroxynonanamide is sourced from PubChem (CID 131850924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).