(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide

C18H34N2O3 — CID 66909938

IUPAC(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide
SMILESCCCCCCC[C@H](O)C(C)(C)C(=O)N[C@H]1CCCNC(=O)C1
InChIInChI=1S/C18H34N2O3/c1-4-5-6-7-8-11-15(21)18(2,3)17(23)20-14-10-9-12-19-16(22)13-14/h14-15,21H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyCECGNPGDUDZAHT-GJZGRUSLSA-N
MW326.48 g/mol
LogP2.52
Rot. Bonds9

About (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide

(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide (PubChem CID 66909938) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide
PubChem CID66909938
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide
SMILESCCCCCCC[C@H](O)C(C)(C)C(=O)N[C@H]1CCCNC(=O)C1
InChIInChI=1S/C18H34N2O3/c1-4-5-6-7-8-11-15(21)18(2,3)17(23)20-14-10-9-12-19-16(22)13-14/h14-15,21H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyCECGNPGDUDZAHT-GJZGRUSLSA-N
XLogP2.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide?
The IUPAC name of (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide (CID 66909938) is (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide.
What is the SMILES notation for (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide?
The canonical SMILES for (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide is CCCCCCC[C@H](O)C(C)(C)C(=O)N[C@H]1CCCNC(=O)C1.
What is the InChIKey of (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide?
The InChIKey is CECGNPGDUDZAHT-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-4-5-6-7-8-11-15(21)18(2,3)17(23)20-14-10-9-12-19-16(22)13-14/h14-15,21H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1.
What are the key properties of (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide?
(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide has a molecular weight of 326.48 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide is sourced from PubChem (CID 66909938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).