(1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide

C24H25NO — CID 30804930

IUPAC(1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC=CCC1
InChIInChI=1S/C24H25NO/c26-24(16-8-2-1-3-9-16)25-15-17-14-22-18-10-4-6-12-20(18)23(17)21-13-7-5-11-19(21)22/h1-2,4-7,10-13,16-17,22-23H,3,8-9,14-15H2,(H,25,26)/t16-,17+,22?,23?/m0/s1
InChIKeyLSNFVEYRUDPOIN-IYXGRNATSA-N
MW343.47 g/mol
LogP4.76
Rot. Bonds3

About (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 30804930) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID30804930
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC=CCC1
InChIInChI=1S/C24H25NO/c26-24(16-8-2-1-3-9-16)25-15-17-14-22-18-10-4-6-12-20(18)23(17)21-13-7-5-11-19(21)22/h1-2,4-7,10-13,16-17,22-23H,3,8-9,14-15H2,(H,25,26)/t16-,17+,22?,23?/m0/s1
InChIKeyLSNFVEYRUDPOIN-IYXGRNATSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

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Related Compounds

(1R)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 30804929
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxane-4-carboxamide
CID 75868346
(2R,3S)-3-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxirane-2-carboxamide
CID 166429192
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxolane-2-carboxamide
CID 42940515
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 16762907
1-cyclopropyl-1-(2-hydroxyethyl)-3-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]urea
CID 95570542
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30394821
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
(1R)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 99903505
4-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 5298348

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide (CID 30804930) is (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide is O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC=CCC1.
What is the InChIKey of (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is LSNFVEYRUDPOIN-IYXGRNATSA-N. The full InChI is InChI=1S/C24H25NO/c26-24(16-8-2-1-3-9-16)25-15-17-14-22-18-10-4-6-12-20(18)23(17)21-13-7-5-11-19(21)22/h1-2,4-7,10-13,16-17,22-23H,3,8-9,14-15H2,(H,25,26)/t16-,17+,22?,23?/m0/s1.
What are the key properties of (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 30804930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).