(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide

C28H45NO2 — CID 15069733

IUPAC(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(N)=O
InChIInChI=1S/C28H45NO2/c1-22(14-8-16-24(3)18-10-20-26(5)28(29)31)12-7-13-23(2)15-9-17-25(4)19-11-21-27(6)30/h12,15-16,19-20H,7-11,13-14,17-18,21H2,1-6H3,(H2,29,31)/b22-12+,23-15+,24-16+,25-19+,26-20+
InChIKeyXYWZSNQNVNHQDY-MOWBPGKPSA-N
MW427.67 g/mol
LogP7.69
Rot. Bonds16

About (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide

(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide (PubChem CID 15069733) has the molecular formula C28H45NO2 and a molecular weight of 427.67 g/mol. Its IUPAC name is (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide.

Molecular Properties

Compound Name(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
PubChem CID15069733
Molecular FormulaC28H45NO2
Molecular Weight427.67 g/mol
Exact Mass427.35
IUPAC Name(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
SMILESCC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(N)=O
InChIInChI=1S/C28H45NO2/c1-22(14-8-16-24(3)18-10-20-26(5)28(29)31)12-7-13-23(2)15-9-17-25(4)19-11-21-27(6)30/h12,15-16,19-20H,7-11,13-14,17-18,21H2,1-6H3,(H2,29,31)/b22-12+,23-15+,24-16+,25-19+,26-20+
InChIKeyXYWZSNQNVNHQDY-MOWBPGKPSA-N
XLogP7.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.67
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(5E,9Z)-6,10,14-trimethylheptadeca-5,9,13-trien-2-one
CID 162428625
4,8-dimethyl-12-oxotrideca-4,8-dienal
CID 71381085
11-chloro-6,10-dimethylundeca-5,9-dien-2-one
CID 173363850
(2E,6E)-2,6-dimethyl-10-oxoundeca-2,6-dienal
CID 87827115
(5E,9E)-11-methoxy-6,10-dimethylundeca-5,9-dien-2-one
CID 88828035
2,6,10-trimethyl-N,N-bis(2-methylpropyl)-14-oxopentadeca-2,6,10-trienamide
CID 54407553
2-methyl-6-oxohept-2-enoic acid
CID 85419897
5,9,13,17-tetramethyloctadeca-4,8,12,16-tetraenamide
CID 173416553
2-methylhex-2-enamide;hydrochloride
CID 141109029
6-amino-2-methylhex-2-enamide
CID 54113800
3-methyl-7-oxooct-3-enal
CID 91303199

Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide?
The IUPAC name of (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide (CID 15069733) is (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide.
What is the SMILES notation for (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide?
The canonical SMILES for (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide is CC(=O)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)C(N)=O.
What is the InChIKey of (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide?
The InChIKey is XYWZSNQNVNHQDY-MOWBPGKPSA-N. The full InChI is InChI=1S/C28H45NO2/c1-22(14-8-16-24(3)18-10-20-26(5)28(29)31)12-7-13-23(2)15-9-17-25(4)19-11-21-27(6)30/h12,15-16,19-20H,7-11,13-14,17-18,21H2,1-6H3,(H2,29,31)/b22-12+,23-15+,24-16+,25-19+,26-20+.
What are the key properties of (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide?
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide has a molecular weight of 427.67 g/mol, XLogP of 7.69, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide is sourced from PubChem (CID 15069733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).