N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide

C24H38N2O3 — CID 73347508

IUPACN-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide
SMILESC=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)N5CCCC5)[C@H]4CC[C@]3(C2)[C@@H]1O
InChIInChI=1S/C24H38N2O3/c1-15-16-13-17(27)19-22(2)8-6-9-23(3,25-21(29)26-11-4-5-12-26)18(22)7-10-24(19,14-16)20(15)28/h16-20,27-28H,1,4-14H2,2-3H3,(H,25,29)/t16-,17-,18-,19-,20+,22+,23+,24+/m0/s1
InChIKeyFCWCZJFAUMPRER-JRMZJTJDSA-N
MW402.58 g/mol
LogP3.45
Rot. Bonds1

About N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide

N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide (PubChem CID 73347508) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide
PubChem CID73347508
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide
SMILESC=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)N5CCCC5)[C@H]4CC[C@]3(C2)[C@@H]1O
InChIInChI=1S/C24H38N2O3/c1-15-16-13-17(27)19-22(2)8-6-9-23(3,25-21(29)26-11-4-5-12-26)18(22)7-10-24(19,14-16)20(15)28/h16-20,27-28H,1,4-14H2,2-3H3,(H,25,29)/t16-,17-,18-,19-,20+,22+,23+,24+/m0/s1
InChIKeyFCWCZJFAUMPRER-JRMZJTJDSA-N
XLogP3.45
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 163036937
(1R,4S,5R,9R,10S,11S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidene-11-(morpholine-4-carbonyloxy)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 73345973
[(1R,4S,9R,10S,11R,13S,15R)-11-hydroxy-5,5,9-trimethyl-14-methylidene-15-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
CID 162968854
(1R,2S,4S,6R,7S,10S,11R)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.24,7.01,10.02,7.012,16]docosan-6-ol
CID 15559849
(1R,4S,5R,9R,10S,11S,13S,15R)-11-(4-bromobenzoyl)oxy-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 71740710
methyl (1S,4S,5R,9S,10S,12S,14R)-14-hydroxy-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
CID 89354602
(1R,5R,9S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 91895338
(1R,4S,5S,9S,10S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 101097500
N-[[(1R,5R,9R,13R,15S)-15-hydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl]prop-2-ynamide
CID 176691812
methyl (1S,4R,5R,9S,10R,11S,13R)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
CID 21143850
(9R)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
CID 51019424
(9R,12S,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-12,15-diol
CID 11551249

Frequently Asked Questions

What is the IUPAC name of N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide (CID 73347508) is N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide is C=C1[C@H]2C[C@H](O)[C@H]3[C@]4(C)CCC[C@@](C)(NC(=O)N5CCCC5)[C@H]4CC[C@]3(C2)[C@@H]1O.
What is the InChIKey of N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide?
The InChIKey is FCWCZJFAUMPRER-JRMZJTJDSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-15-16-13-17(27)19-22(2)8-6-9-23(3,25-21(29)26-11-4-5-12-26)18(22)7-10-24(19,14-16)20(15)28/h16-20,27-28H,1,4-14H2,2-3H3,(H,25,29)/t16-,17-,18-,19-,20+,22+,23+,24+/m0/s1.
What are the key properties of N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide?
N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 3.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,4S,5R,9R,10S,11S,13R,15R)-11,15-dihydroxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 73347508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).