2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide

C18H28N2O2 — CID 11551248

IUPAC2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O
InChIInChI=1S/C18H28N2O2/c21-16(20-15-3-1-2-4-19-17(15)22)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H,19,22)(H,20,21)/t12?,13?,14?,15-,18?/m0/s1
InChIKeyKFAALOQUGLRPEW-URZJAHPPSA-N
MW304.43 g/mol
LogP2.38
Rot. Bonds3

About 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide

2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide (PubChem CID 11551248) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
PubChem CID11551248
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O
InChIInChI=1S/C18H28N2O2/c21-16(20-15-3-1-2-4-19-17(15)22)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H,19,22)(H,20,21)/t12?,13?,14?,15-,18?/m0/s1
InChIKeyKFAALOQUGLRPEW-URZJAHPPSA-N
XLogP2.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide (CID 11551248) is 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCCNC1=O.
What is the InChIKey of 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
The InChIKey is KFAALOQUGLRPEW-URZJAHPPSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-16(20-15-3-1-2-4-19-17(15)22)11-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2,(H,19,22)(H,20,21)/t12?,13?,14?,15-,18?/m0/s1.
What are the key properties of 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide?
2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[(3S)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 11551248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).