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

C29H29NO4 — CID 24655878

IUPAC4-(3,4-dimethoxyphenyl)-4-oxo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1OC
InChIInChI=1S/C29H29NO4/c1-33-26-13-11-18(16-27(26)34-2)25(31)12-14-28(32)30-17-19-15-24-20-7-3-5-9-22(20)29(19)23-10-6-4-8-21(23)24/h3-11,13,16,19,24,29H,12,14-15,17H2,1-2H3,(H,30,32)
InChIKeyDUDOUXQONVXLBH-UHFFFAOYSA-N
MW455.55 g/mol
LogP5.08
Rot. Bonds8

About 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

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 (PubChem CID 24655878) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-4-oxo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)butanamide
PubChem CID24655878
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC Name4-(3,4-dimethoxyphenyl)-4-oxo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)butanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1OC
InChIInChI=1S/C29H29NO4/c1-33-26-13-11-18(16-27(26)34-2)25(31)12-14-28(32)30-17-19-15-24-20-7-3-5-9-22(20)29(19)23-10-6-4-8-21(23)24/h3-11,13,16,19,24,29H,12,14-15,17H2,1-2H3,(H,30,32)
InChIKeyDUDOUXQONVXLBH-UHFFFAOYSA-N
XLogP5.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

2-(2-methoxyphenoxy)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 43047581
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
CID 55522292
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
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
N-[2-(1-benzothiophen-3-yl)-2-oxoethyl]-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 159666218
(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-(2-cyclopentylsulfanylphenyl)-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 43074199
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxobutanamide
CID 32735771

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(C(=O)CCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)cc1OC.
What is the InChIKey of 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?
The InChIKey is DUDOUXQONVXLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO4/c1-33-26-13-11-18(16-27(26)34-2)25(31)12-14-28(32)30-17-19-15-24-20-7-3-5-9-22(20)29(19)23-10-6-4-8-21(23)24/h3-11,13,16,19,24,29H,12,14-15,17H2,1-2H3,(H,30,32).
What are the key properties of 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?
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 has a molecular weight of 455.55 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24655878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).