N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide

C18H31NO3 — CID 110153174

IUPACN-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
SMILESCC(C)[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO
InChIInChI=1S/C18H31NO3/c1-11(2)15-13-9-12-10-18(13,6-8-22-15)16(17(12,3)4)19-14(21)5-7-20/h11-13,15-16,20H,5-10H2,1-4H3,(H,19,21)/t12-,13-,15-,16+,18?/m1/s1
InChIKeyWLKXBUXVJSENMZ-VLOJRMMBSA-N
MW309.45 g/mol
LogP2.35
Rot. Bonds4

About N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide

N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide (PubChem CID 110153174) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
PubChem CID110153174
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC NameN-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
SMILESCC(C)[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO
InChIInChI=1S/C18H31NO3/c1-11(2)15-13-9-12-10-18(13,6-8-22-15)16(17(12,3)4)19-14(21)5-7-20/h11-13,15-16,20H,5-10H2,1-4H3,(H,19,21)/t12-,13-,15-,16+,18?/m1/s1
InChIKeyWLKXBUXVJSENMZ-VLOJRMMBSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide with MolForge

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Related Compounds

N-[(5R,6S,8R,10R)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
CID 110134719
N-[(1S,5S,6S,8R,10S)-5-(2,6-dimethylphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 125021437
3-hydroxy-N-[(1S,5S,6S,8R,10S)-5-(3-methoxy-4-propan-2-yloxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 125016414
3-hydroxy-N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 110134348
N-[(5S,6S,8R,10R)-5-(2,4-difluorophenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 110134977
N-[(1S,5S,6S,8R,10S)-5-(2-fluoro-6-methoxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 125025959
N-[(5S,6S,8R,10S)-5-(2-fluoro-4-methoxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 110134454
N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-[4-(pyrazol-1-ylmethyl)phenyl]-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide
CID 124941863
N-[(5R,6S,8R,10R)-5-ethyl-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]propanamide
CID 132775638
N-[(5S,6S,8R,10S)-5-(4-hydroxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
CID 110134153
N-[(1S,5S,6S,8R,10R)-5-(4-methoxyphenyl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]butanamide
CID 125018618
N-[(1S,5S,6S,8R,10S)-9,9-dimethyl-5-(4-methylphenyl)-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-methoxypropanamide
CID 124947196

Frequently Asked Questions

What is the IUPAC name of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide?
The IUPAC name of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide (CID 110153174) is N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide?
The canonical SMILES for N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide is CC(C)[C@H]1OCCC23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO.
What is the InChIKey of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide?
The InChIKey is WLKXBUXVJSENMZ-VLOJRMMBSA-N. The full InChI is InChI=1S/C18H31NO3/c1-11(2)15-13-9-12-10-18(13,6-8-22-15)16(17(12,3)4)19-14(21)5-7-20/h11-13,15-16,20H,5-10H2,1-4H3,(H,19,21)/t12-,13-,15-,16+,18?/m1/s1.
What are the key properties of N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide?
N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide has a molecular weight of 309.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6S,8R,10S)-9,9-dimethyl-5-propan-2-yl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]-3-hydroxypropanamide is sourced from PubChem (CID 110153174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).