3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide

C26H31NO — CID 16762907

IUPAC3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESO=C(CCC1CCCCC1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H31NO/c28-25(15-14-18-8-2-1-3-9-18)27-17-19-16-24-20-10-4-6-12-22(20)26(19)23-13-7-5-11-21(23)24/h4-7,10-13,18-19,24,26H,1-3,8-9,14-17H2,(H,27,28)
InChIKeyPGZICMLLKZWLMQ-UHFFFAOYSA-N
MW373.54 g/mol
LogP5.76
Rot. Bonds5

About 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide

3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (PubChem CID 16762907) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
PubChem CID16762907
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESO=C(CCC1CCCCC1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H31NO/c28-25(15-14-18-8-2-1-3-9-18)27-17-19-16-24-20-10-4-6-12-22(20)26(19)23-13-7-5-11-21(23)24/h4-7,10-13,18-19,24,26H,1-3,8-9,14-17H2,(H,27,28)
InChIKeyPGZICMLLKZWLMQ-UHFFFAOYSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
CID 46553517
(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
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)oxolane-2-carboxamide
CID 42940515
2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
4-(3,4-dimethoxyphenyl)-4-oxo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)butanamide
CID 24655878
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43020655
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]butanamide
CID 39951889
3-(3-propyl-1,2,4-oxadiazol-5-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 55574210
(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

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (CID 16762907) is 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is O=C(CCC1CCCCC1)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The InChIKey is PGZICMLLKZWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO/c28-25(15-14-18-8-2-1-3-9-18)27-17-19-16-24-20-10-4-6-12-22(20)26(19)23-13-7-5-11-21(23)24/h4-7,10-13,18-19,24,26H,1-3,8-9,14-17H2,(H,27,28).
What are the key properties of 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide has a molecular weight of 373.54 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is sourced from PubChem (CID 16762907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).