N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide

C30H56NOP — CID 174347593

IUPACN-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide
SMILESCCC(=O)NC1CCCCCCC(C2CCCC[C@@H](C3CCCC[C@H](P)CCC3)CC2)CC1
InChIInChI=1S/C30H56NOP/c1-2-30(32)31-28-17-6-4-3-5-12-27(22-23-28)26-15-8-7-14-25(20-21-26)24-13-9-10-18-29(33)19-11-16-24/h24-29H,2-23,33H2,1H3,(H,31,32)/t24?,25-,26?,27?,28?,29+/m1/s1
InChIKeyWQAGJKBVTLIKEQ-MEQIXEOJSA-N
MW477.76 g/mol
LogP8.82
Rot. Bonds4

About N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide

N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide (PubChem CID 174347593) has the molecular formula C30H56NOP and a molecular weight of 477.76 g/mol. Its IUPAC name is N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide.

Molecular Properties

Compound NameN-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide
PubChem CID174347593
Molecular FormulaC30H56NOP
Molecular Weight477.76 g/mol
Exact Mass477.41
IUPAC NameN-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide
SMILESCCC(=O)NC1CCCCCCC(C2CCCC[C@@H](C3CCCC[C@H](P)CCC3)CC2)CC1
InChIInChI=1S/C30H56NOP/c1-2-30(32)31-28-17-6-4-3-5-12-27(22-23-28)26-15-8-7-14-25(20-21-26)24-13-9-10-18-29(33)19-11-16-24/h24-29H,2-23,33H2,1H3,(H,31,32)/t24?,25-,26?,27?,28?,29+/m1/s1
InChIKeyWQAGJKBVTLIKEQ-MEQIXEOJSA-N
XLogP8.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.76
LogP ≤ 58.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813
2-amino-N-(4-cyclohexylcyclohexyl)acetamide
CID 21479296
N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)
CID 158984107
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
N-cyclooctylbutanamide
CID 4614062
[4-[[4-(propanoylamino)cyclohexyl]methyl]cyclohexyl]carbamic acid
CID 70827651

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide?
The IUPAC name of N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide (CID 174347593) is N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide.
What is the SMILES notation for N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide?
The canonical SMILES for N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide is CCC(=O)NC1CCCCCCC(C2CCCC[C@@H](C3CCCC[C@H](P)CCC3)CC2)CC1.
What is the InChIKey of N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide?
The InChIKey is WQAGJKBVTLIKEQ-MEQIXEOJSA-N. The full InChI is InChI=1S/C30H56NOP/c1-2-30(32)31-28-17-6-4-3-5-12-27(22-23-28)26-15-8-7-14-25(20-21-26)24-13-9-10-18-29(33)19-11-16-24/h24-29H,2-23,33H2,1H3,(H,31,32)/t24?,25-,26?,27?,28?,29+/m1/s1.
What are the key properties of N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide?
N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide has a molecular weight of 477.76 g/mol, XLogP of 8.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide is sourced from PubChem (CID 174347593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).