10-[(1R,2S)-2-hexylcyclopropyl]decanamide

C19H37NO — CID 90478669

IUPAC10-[(1R,2S)-2-hexylcyclopropyl]decanamide
SMILESCCCCCC[C@H]1C[C@H]1CCCCCCCCCC(N)=O
InChIInChI=1S/C19H37NO/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H2,20,21)/t17-,18+/m0/s1
InChIKeyVAANKLYFVYJWDC-ZWKOTPCHSA-N
MW295.51 g/mol
LogP5.59
Rot. Bonds15

About 10-[(1R,2S)-2-hexylcyclopropyl]decanamide

10-[(1R,2S)-2-hexylcyclopropyl]decanamide (PubChem CID 90478669) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 10-[(1R,2S)-2-hexylcyclopropyl]decanamide.

Molecular Properties

Compound Name10-[(1R,2S)-2-hexylcyclopropyl]decanamide
PubChem CID90478669
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name10-[(1R,2S)-2-hexylcyclopropyl]decanamide
SMILESCCCCCC[C@H]1C[C@H]1CCCCCCCCCC(N)=O
InChIInChI=1S/C19H37NO/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H2,20,21)/t17-,18+/m0/s1
InChIKeyVAANKLYFVYJWDC-ZWKOTPCHSA-N
XLogP5.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-[(1R,2S)-2-hexylcyclopropyl]octanoic acid
CID 14345320
11-(2-hexylcyclopropyl)undecan-2-one
CID 20746928
1-hexyl-2-undecylcyclopropane
CID 58049498
1,2-dioctylcyclopropane
CID 21337627
tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
10-(2-butylcyclopropyl)decanoic acid
CID 71374776
methyl 5-(2-undecylcyclopropyl)pentanoate
CID 534438
9-[2-[(2-pentylcyclopropyl)methyl]cyclopropyl]nonan-2-one
CID 126705004
octadecanamide;zinc
CID 87169213

Frequently Asked Questions

What is the IUPAC name of 10-[(1R,2S)-2-hexylcyclopropyl]decanamide?
The IUPAC name of 10-[(1R,2S)-2-hexylcyclopropyl]decanamide (CID 90478669) is 10-[(1R,2S)-2-hexylcyclopropyl]decanamide.
What is the SMILES notation for 10-[(1R,2S)-2-hexylcyclopropyl]decanamide?
The canonical SMILES for 10-[(1R,2S)-2-hexylcyclopropyl]decanamide is CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(N)=O.
What is the InChIKey of 10-[(1R,2S)-2-hexylcyclopropyl]decanamide?
The InChIKey is VAANKLYFVYJWDC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H37NO/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H3,(H2,20,21)/t17-,18+/m0/s1.
What are the key properties of 10-[(1R,2S)-2-hexylcyclopropyl]decanamide?
10-[(1R,2S)-2-hexylcyclopropyl]decanamide has a molecular weight of 295.51 g/mol, XLogP of 5.59, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1R,2S)-2-hexylcyclopropyl]decanamide is sourced from PubChem (CID 90478669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).