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

C21H23NO — CID 42940509

IUPAC2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C21H23NO/c1-13(2)21(23)22-12-14-11-19-15-7-3-5-9-17(15)20(14)18-10-6-4-8-16(18)19/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,22,23)
InChIKeyBENFVLQEZCBBCN-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.06
Rot. Bonds3

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

2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (PubChem CID 42940509) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
PubChem CID42940509
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
SMILESCC(C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C21H23NO/c1-13(2)21(23)22-12-14-11-19-15-7-3-5-9-17(15)20(14)18-10-6-4-8-16(18)19/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,22,23)
InChIKeyBENFVLQEZCBBCN-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide;hydrochloride
CID 119271324
2,2-dimethyl-N-[1-oxo-1-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)propan-2-yl]propanamide
CID 42942199
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689611
2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
(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
4-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 5298348
N-[(2S)-4-oxo-4-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methylamino]butan-2-yl]benzamide
CID 30693866
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
4-chloro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18205686
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
CID 46553517
3-methyl-5-propan-2-yl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-1,2-oxazole-4-carboxamide
CID 24655881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The IUPAC name of 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide (CID 42940509) is 2-methyl-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 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The canonical SMILES for 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is CC(C)C(=O)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
The InChIKey is BENFVLQEZCBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-13(2)21(23)22-12-14-11-19-15-7-3-5-9-17(15)20(14)18-10-6-4-8-16(18)19/h3-10,13-14,19-20H,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide?
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide has a molecular weight of 305.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide is sourced from PubChem (CID 42940509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).