5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide

C23H30N2O3 — CID 123828728

IUPAC5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide
SMILES[H]/N=C(\C=C\C)C(=C)CCCC(C)C(=O)C/C=C/c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C23H30N2O3/c1-5-8-20(24)16(2)9-6-10-17(3)21(26)12-7-11-18-13-14-22(28-4)19(15-18)23(25)27/h5,7-8,11,13-15,17,24H,2,6,9-10,12H2,1,3-4H3,(H2,25,27)/b8-5+,11-7+,24-20+
InChIKeyLTYDVNHBSHNFQZ-NTJGMUHESA-N
MW382.50 g/mol
LogP4.72
Rot. Bonds12

About 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide

5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide (PubChem CID 123828728) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide
PubChem CID123828728
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide
SMILES[H]/N=C(\C=C\C)C(=C)CCCC(C)C(=O)C/C=C/c1ccc(OC)c(C(N)=O)c1
InChIInChI=1S/C23H30N2O3/c1-5-8-20(24)16(2)9-6-10-17(3)21(26)12-7-11-18-13-14-22(28-4)19(15-18)23(25)27/h5,7-8,11,13-15,17,24H,2,6,9-10,12H2,1,3-4H3,(H2,25,27)/b8-5+,11-7+,24-20+
InChIKeyLTYDVNHBSHNFQZ-NTJGMUHESA-N
XLogP4.72
TPSA93.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide with MolForge

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Related Compounds

(1E,11E)-10-imino-1-[3-(2-iminopropanoyl)-4-methoxyphenyl]-5-methyl-9-methylidenetrideca-1,11-dien-4-one
CID 123809434
(11E)-1-[4-fluoro-3-(2-iminopropanoyl)phenyl]-10-imino-4-methyl-9-methylidenetrideca-1,11-dien-3-one
CID 123173930
ethylidene-[5-(10-imino-5-methyl-9-methylidene-4-oxododeca-2,11-dienyl)-2-methoxybenzoyl]-methylazanium
CID 123840894
4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760
methyl 4-(4-amino-4-oxobut-1-enyl)-2-methoxybenzoate
CID 170798773
2-[3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoylamino]benzamide
CID 4682883
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
5-[(3S)-3-[[5-[(3S)-3-[[5-[(3S)-3-[[5-[(3S)-3-acetamido-7-amino-2-oxoheptyl]-2-methoxybenzoyl]amino]-7-amino-2-oxoheptyl]-2-methoxybenzoyl]amino]-7-amino-2-oxoheptyl]-2-methoxybenzoyl]amino]-7-amino-2-oxoheptyl]-2-methoxybenzamide
CID 58359714
6-(2,5-dimethoxyphenyl)-2-methyl-6-oxohexanoic acid
CID 70041189
(E)-3-[3-(3-cyanopropoxy)-4-methoxyphenyl]prop-2-enoic acid
CID 29018496
methyl 5-(4-amino-4-oxobut-1-enyl)-2-methylbenzoate
CID 170798449
7-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyheptyl 2-methylprop-2-enoate
CID 69118218

Frequently Asked Questions

What is the IUPAC name of 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide?
The IUPAC name of 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide (CID 123828728) is 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide.
What is the SMILES notation for 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide?
The canonical SMILES for 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide is [H]/N=C(\C=C\C)C(=C)CCCC(C)C(=O)C/C=C/c1ccc(OC)c(C(N)=O)c1.
What is the InChIKey of 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide?
The InChIKey is LTYDVNHBSHNFQZ-NTJGMUHESA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-8-20(24)16(2)9-6-10-17(3)21(26)12-7-11-18-13-14-22(28-4)19(15-18)23(25)27/h5,7-8,11,13-15,17,24H,2,6,9-10,12H2,1,3-4H3,(H2,25,27)/b8-5+,11-7+,24-20+.
What are the key properties of 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide?
5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide has a molecular weight of 382.50 g/mol, XLogP of 4.72, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,11E)-10-imino-5-methyl-9-methylidene-4-oxotrideca-1,11-dienyl]-2-methoxybenzamide is sourced from PubChem (CID 123828728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).